SCHEMBL8178102

SCHEMBL8178102

COC(=O)c1c(N)ccc(F)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 5/20 0.41
CFTR P13569 2/20 0.41
PRKCZ Q05513 2/20 0.40
ABL1 P00519 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 5/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL15727852 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10CFTRPRKCZABL1
SCHEMBL31159083 0.85 CA12 (0.45) ALDH1A1PRKCZCA12CA1CA2
SCHEMBL8187328 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10CFTRPRKCZABL1
SCHEMBL30724527 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10CFTRPRKCZABL1
SCHEMBL15353324 0.81 CISD2 (0.43) ALDH1A1HSD17B10CFTRABL1CA12
SCHEMBL7827697 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10CFTRPRKCZABL1
SCHEMBL16225214 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10CFTRPRKCZABL1
SCHEMBL21435217 0.79 ABL1 (0.47) ALDH1A1HSD17B10CFTRABL1CA12
SCHEMBL16825518 0.79 CA12 (0.40) ALDH1A1CFTRPRKCZCA12CA1
SCHEMBL5886481 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10CFTRPRKCZABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685395-A 2, 3-dihydrobenzo [ d ] isothiazole compound and application thereof 浙江大学 2022-07-01 CN disclosed
WO-2014075387-A1 DIARYL HYDANTOIN DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海医药集团股份有限公司 (CN) 2014-05-22 WO disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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 (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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 ALDH1A1 4405/4885HSD17B10 3143/4885CFTR 2215/4885

“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.