SCHEMBL240637

SCHEMBL240637

Nc1ccc(Br)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.48
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 8/20 0.40
TDP1 Q9NUW8 4/20 0.40
CYP3A4 P08684 3/20 0.40
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26921171 0.89 PTGER4 (0.41) PTGER4MEN1KMT2AUSP2KEAP1
SCHEMBL16175008 0.80 PTGER4 (0.50) PTGER4TSHRALDH1A1TDP1PMM2
SCHEMBL30729476 0.80 PTGER4 (0.50) PTGER4TSHRALDH1A1TDP1PMM2
SCHEMBL9703411 0.80 TSHR (0.54) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL11047029 0.78 TDP1 (0.53) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL10438976 0.78 PTGER4 (0.49) PTGER4TSHRALDH1A1TDP1MAPT
SCHEMBL23229161 0.77 ALDH1A1 (0.50) PTGER4MEN1KMT2ATSHRALDH1A1
SCHEMBL31330060 0.77 ALDH1A1 (0.42) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL18956810 0.77 MEN1 (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL20797684 0.77 PTGER4 (0.48) PTGER4MEN1KMT2ATSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617780-B2 Benzothiophene, thienopyridine and thienopyrimidine derivatives for the modulation of sting CTXT PTY LTD (AU) 2026-05-05 US disclosed
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2026-04-16 US disclosed
EP-4688779-A2 NOVEL COMPOUNDS AND USES THEREOF Acelink Therapeutics, Inc. (US) 2026-02-11 EP disclosed
US-12458640-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-11-04 US disclosed
CN-114206885-B Pyrazolo [3,4-B ] pyrazines SHP2 phosphatase inhibitors 大冢制药株式会社 2025-05-02 CN disclosed
CN-112513050-B Heterocyclic compounds which inhibit SHP2 activity 大鹏药品工业株式会社 2024-12-20 CN disclosed
CN-114206880-B Benzothiophene, thienopyridine and thienopyrimidine derivatives for modulating STING CTXT私人有限公司 2024-12-06 CN disclosed
WO-2024211244-A2 NOVEL COMPOUNDS AND USES THEREOF ACELINK THERAPEUTICS, INC. (US) 2024-10-10 WO disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
EP-2079466-A2 SUBSTITUTED INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 WO disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 WO disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12458640-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors PTPN5, PTPRZ1, PTPN1 PTGER4 3343/4885MEN1 2235/4885KMT2A 1273/4885
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPN1, PTPN3 PTGER4 3930/4885MEN1 1842/4885KMT2A 588/4885
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 PTGER4 900/4885MEN1 3089/4885KMT2A 812/4885
US-12617780-B2 Benzothiophene, thienopyridine and thienopyrimidine derivatives for the modulation of sting STING1, CGAS, IRF3 PTGER4 446/4885MEN1 3038/4885KMT2A 2488/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 PTGER4 4706/4885MEN1 2874/4885KMT2A 1327/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.