SCHEMBL603252

SCHEMBL603252

COc1cc(Cl)cc(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MARS1 P56192 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36
AHR P35869 1/20 0.36
CYP19A1 P11511 1/20 0.36
CALM1 P0DP23 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.35
IDO1 P14902 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL1742765 0.84 ALDH1A1 (0.50) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL627823 0.84 ALDH1A1 (0.58) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL467237 0.82 ALDH1A1 (0.55) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8223455 0.81 PTGS2 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL586588 0.81 MARS1 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18860591 0.80 MAPT (0.43) FFAR4
SCHEMBL3933664 0.79 MARS1 (0.41) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3086949 0.79 GRIN2D (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL586319 0.79 DAO (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3939805 0.79 GRIN2D (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768269-B1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-08-20 EP disclosed
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 US disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
EP-3377491-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2018-09-26 EP disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 US disclosed
US-8846739-B2 TGR5 agonists EXELIXIS PATENT COMPANY LLC (US) 2014-09-30 US disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
US-20130303505-A1 TGR5 AGONISTS EXELIXIS PATENT COMPANY LLC 2013-11-14 US disclosed
EP-2509960-A1 TGR5 AGONISTS Exelixis, Inc. (US) 2012-10-17 EP disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 US disclosed
EP-2396304-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY Exelixis, Inc. (US) 2011-12-21 EP disclosed
WO-2011071565-A1 TGR5 AGONISTS EXELIXIS, INC. (US) 2011-06-16 WO disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 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 (7 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 ALDH1A1 293/4885GRIN2D 538/4885GRIN3B 124/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885GRIN2D 149/4885GRIN3B 48/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885GRIN2D 149/4885GRIN3B 48/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 ALDH1A1 723/4885GRIN2D 1097/4885GRIN3B 1314/4885
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS ALDH1A1 4472/4885GRIN2D 3958/4885GRIN3B 3746/4885
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR ALDH1A1 2105/4885GRIN2D 2752/4885GRIN3B 1032/4885
US-20130303505-A1 TGR5 AGONISTS GCGR, NPY5R, TBXA2R ALDH1A1 3462/4885GRIN2D 1966/4885GRIN3B 878/4885

“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.