SCHEMBL23554117

SCHEMBL23554117

O=C(CBr)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.57
▸ MAPT P10636 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ AGTR1 P30556 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
SCHEMBL1607866 0.79 TP53 (0.55) MAPTGAAKMT2AHPGDMEN1
SCHEMBL940807 0.79 TP53 (0.55) MAPTGAAKMT2AHPGDMEN1
SCHEMBL6086071 0.77 SMN1; SMN2 (0.63) MAPTGAAKMT2AHPGDMEN1
Hydrochloric Acid SCHEMBL11722776 0.77 TP53 (0.53) MAPTGAAKMT2AHPGDMEN1
Hydrochloric Acid SCHEMBL11722772 0.77 TP53 (0.53) MAPTGAAKMT2AHPGDMEN1
SCHEMBL287220 0.77 ALDH1A1 (0.56) MAPTGAAKMT2AHPGDMEN1
SCHEMBL11722198 0.77 ALDH1A1 (0.56) MAPTGAAKMT2AHPGDMEN1
SCHEMBL11719928 0.76 KMT2A (0.51) MAPTGAAKMT2AHPGDMEN1
SCHEMBL12466487 0.75 SMN1; SMN2 (0.38) GSK3BMAPTGAAKMT2AHPGD
SCHEMBL73675 0.75 CES2 (0.66) GSK3BMAPTGAAKMT2AMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF PRISM MEDICINES, INC. 2025-01-09 — — US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 — — US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 — — US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 — — US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 — — US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 — — US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 — — US disclosed
US-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2023-03-21 — — US disclosed
CN-115279741-A 4-phenyl-N- (phenyl) thiazol-2-amine derivatives and related compounds as Aryl Hydrocarbon Receptor (AHR) agonists for the treatment of, for example, angiogenesis-related disorders or inflammatory disorders 医肯纳肿瘤学公司 2022-11-01 — — CN disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 — — US disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 — — US disclosed
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 — — 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-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 GSK3B 3183/4885MAPT 4673/4885GAA 3146/4885
US-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 GSK3B 3183/4885MAPT 4673/4885GAA 3146/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 GSK3B 3183/4885MAPT 4673/4885GAA 3146/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 GSK3B 3183/4885MAPT 4673/4885GAA 3146/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 GSK3B 3183/4885MAPT 4673/4885GAA 3146/4885

“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.

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