SCHEMBL2803959

SCHEMBL2803959

CC(=O)Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
PDK1 Q15118 1/20 0.38
TSHR P16473 3/20 0.38
GPR35 Q9HC97 1/20 0.38
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 4/20 0.34
CTSD P07339 1/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL28337354 0.88 CYP1A2 (0.39) CYP1A2PDK1TSHRGPR35TXNRD1
SCHEMBL6836629 0.86 L3MBTL1 (0.34) CYP1A2PDK1ATMTDP1KMT2A
SCHEMBL28536985 0.78 TDP1 (0.43) CYP1A2PDK1TSHRATMTDP1
SCHEMBL30410464 0.76 CYP1A2 (0.50) CYP1A2PDK1ATMTDP1KMT2A
SCHEMBL3010413 0.76 ATM (0.51) CYP1A2PDK1ATMTDP1KMT2A
SCHEMBL2994232 0.76 CYP1A2 (0.50) CYP1A2PDK1ATMTDP1KMT2A
SCHEMBL3515877 0.75 LMNA (0.41) CYP1A2TSHRGPR35ATMTDP1
SCHEMBL297761 0.73 ATM (0.40) TSHRATMTDP1KMT2AMEN1
SCHEMBL22284116 0.73 GAA (0.40) CYP1A2TSHRGPR35TDP1KMT2A
SCHEMBL3390082 0.72 CYP1A2 (0.57) CYP1A2PDK1TSHRATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107213250-B Traditional Chinese medicine composition for preventing and treating rheumatoid arthritis and preparation method thereof 辽宁中医药大学 2020-11-24 CN disclosed
EP-2930170-B1 PYRIDONE COMPOUND FOR USE IN THE TREATMENT OF DERMATOLOGICAL DISORDERS KYOWA KIRIN CO LTD (JP) 2020-02-05 EP disclosed
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-9701689-B2 Substituted pyridines and pyridazines as CCR10 receptor inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-11 US disclosed
US-9643952-B2 Pyridone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-05-09 US disclosed
EP-2543670-B1 PYRAZOLOPYRIMIDIN-DERIVATIVE FÜR DIE BEHANDLUNG VON HAUTKRANKHEITEN KYOWA HAKKO KIRIN CO LTD (JP) 2016-05-04 EP disclosed
US-20150315172-A1 PYRIDONE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-11-05 US disclosed
US-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-22 US disclosed
EP-2930170-A1 PYRIDONE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-10-14 EP disclosed
EP-2927214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-10-07 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
CN-101878217-B Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO LTD 2014-01-15 CN disclosed
US-20130102620-A1 PYRAZOLOPYRIMIDINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-04-25 US disclosed
EP-2543670-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2013-01-09 EP disclosed
CN-102791712-A Pyrazolopyrimidine Derivatives KYOWA HAKKO KIRIN CO LTD 2012-11-21 CN disclosed
CN-102776129-A Isaria cretacea and application thereof CHUN CAI 2012-11-14 CN disclosed
CN-202408863-U Device for skin patch test YICHANG WUJIAGANG DISTR YIKANG DERMATOLOGY RES INST 2012-09-05 CN disclosed
CN-101878217-A Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO LTD 2010-11-03 CN disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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 (4 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-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ARG1, H1-0, TYR CYP1A2 908/4885PDK1 3036/4885TSHR 1345/4885
US-20150315172-A1 PYRIDONE COMPOUND HRH4, HRH3, HRH1 CYP1A2 265/4885PDK1 822/4885TSHR 1516/4885
US-20130102620-A1 PYRAZOLOPYRIMIDINE DERIVATIVE GRK3, NR3C2, NR1I3 CYP1A2 249/4885PDK1 742/4885TSHR 247/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 CYP1A2 1664/4885PDK1 3146/4885TSHR 4698/4885

“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.