SCHEMBL760743

SCHEMBL760743

Cc1cc(Br)cc(I)c1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL18076660 0.82 CA1 (0.44) ALDH1A1CYP3A4TSHRTDP1CA1
SCHEMBL146892 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL29066927 0.75 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL27871748 0.75 ALDH1A1 (0.33) ALDH1A1NQO2
SCHEMBL18426752 0.75 CA1 (0.39) ALDH1A1CA1CA2CA9MAPK1
SCHEMBL159075 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL6624352 0.75 KDM4E (0.45) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL19723645 0.75 CA1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA1
SCHEMBL109929 0.75 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL16379755 0.73 TTR (0.48) ALDH1A1CYP3A4TSHRTDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705296-A1 HETEROARYLINDOLE INHIBITORS OF APOL-1 OmniAB, Inc. (US) 2026-03-11 EP disclosed
EP-3589628-B1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2025-05-07 EP disclosed
US-12162860-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
WO-2024242846-A1 HETEROARYLINDOLE INHIBITORS OF APOL-1 OMNIAB, INC. (US) 2024-11-28 WO disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2011-02-17 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
WO-2009130434-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2009-10-29 WO disclosed
WO-2009130434-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2009-10-29 WO disclosed
CN-101437519-A Indazole compounds ABBOTT LAB (US) 2009-05-20 CN disclosed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 ALDH1A1 89/4885CYP3A4 5/4885TSHR 2823/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 2338/4885CYP3A4 57/4885TSHR 1662/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ALDH1A1 2338/4885CYP3A4 57/4885TSHR 1662/4885
US-12162860-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 2338/4885CYP3A4 57/4885TSHR 1662/4885
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CSNK1E, PACSIN2, CHUK ALDH1A1 4456/4885CYP3A4 4370/4885TSHR 3858/4885

“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.