SCHEMBL5699178

SCHEMBL5699178

Nc1cccc(Br)c1OC(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
AXL P30530 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
PIK3CA P42336 1/20 0.30

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
SCHEMBL30079497 1.00 SCN9A (0.33) SCN9AMEN1HTTKMT2AAXL
SCHEMBL1771083 0.85 MEN1 (0.36) MEN1HTTKMT2A
SCHEMBL26162641 0.80 MCHR1 (0.35) AXLALOX5APFEN1CYP3A4TSHR
SCHEMBL23043168 0.78 SCN9A (0.36) SCN9AMEN1HTTKMT2AALDH1A1
SCHEMBL6375248 0.78 SCN9A (0.45) SCN9AKMT2ACYP3A4TSHRALDH1A1
SCHEMBL25222272 0.77 MEN1 (0.31) MEN1KMT2AALOX5APFEN1TDP1
SCHEMBL25222271 0.77 MEN1 (0.31) MEN1KMT2AALOX5APFEN1TDP1
SCHEMBL5733263 0.76 ALDH1A1 (0.43) SCN9AMEN1HTTKMT2ACYP3A4
SCHEMBL737295 0.76 MEN1 (0.32) MEN1HTTKMT2A
SCHEMBL22366611 0.76 TSHR (0.43) SCN9ACYP3A4TSHRALDH1A1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190829-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2024-06-13 US disclosed
EP-4337655-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed
WO-2022241171-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 WO disclosed
EP-1362843-B1 N-cyclopropyl-2-difluoromethoxy-3-bromoaniline and intermediate used for production thereof IHARA CHEMICAL IND CO (JP) 2006-06-14 EP disclosed
EP-1031555-B1 DIFLUOROMETHOXYBENZENE DERIVATIVES AND THEIR USE AS INTERMEDIATES IHARA CHEMICAL IND CO (JP) 2005-04-13 EP disclosed
EP-1362843-A2 N-cyclopropyl-2-difluoromethoxy-3-halogenoaniline and intermediate used for production thereof Ihara Chemical Industry Co., Ltd. (JP) 2003-11-19 EP disclosed
US-6316658-B1 QUINOLONE CARBOXYLATE CHEMICAL INTERMEDIATES; MICROBIOCIDES, BACTERICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-11-13 US disclosed
EP-1031555-A1 N-CYCLOPROPYL-2-DIFLUOROMETHOXY-3-HALOGENOANILINES AND INTERMEDIATES FOR THE PREPARATION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-08-30 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 (1 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-20240190829-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 SCN9A 3741/4885MEN1 2796/4885HTT 213/4885

“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.