SCHEMBL6236930

SCHEMBL6236930

O=Cc1ccc2oncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.53
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 2/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.36
TRPM5 Q9NZQ8 1/20 0.35
HPGD P15428 2/20 0.35
TRIM24 O15164 1/20 0.35
ALDH5A1 P51649 1/20 0.35

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
SCHEMBL27372741 0.86 CYP2A6 (0.43) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL30829216 0.78 KDM4E (0.49) CYP2A6ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL10592495 0.76 CHRNA7 (0.33) CYP2A6
SCHEMBL29215636 0.76 AKR1C3 (0.45) RAB9ATRPM5HPGDSMN1; SMN2
SCHEMBL2001766 0.75 TRPM5 (0.37) TRPM5
SCHEMBL8710500 0.73 CASP3 (0.42) ALDH1A1KDM4ERAB9APTGS2TDP1
SCHEMBL31261817 0.72 CYP2A6 (0.41) CYP2A6ALDH1A1KDM4ERAB9AMEN1
SCHEMBL3531118 0.72 CYP2A6 (0.41) CYP2A6ALDH1A1KDM4ERAB9AMEN1
SCHEMBL9346733 0.71 TRPM5 (0.43) CYP2A6ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL1354208 0.71 FLT3 (0.41) ALDH1A1KDM4ERAB9ATDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 CN disclosed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3643719-B1 THIAZOLIDONE SPIRO PYRIMIDINE TRIONE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-08-10 EP disclosed
WO-2022076662-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed
CN-102245605-B Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections ASTRAZENECA AB (SE) 2016-01-27 CN disclosed
CN-104086565-A FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB 2014-10-08 CN disclosed
CN-102245605-A Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections ASTRAZENECA AB 2011-11-16 CN disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 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-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, ABCC1, UGT2B7 CYP2A6 28/4885ALDH1A1 102/4885KDM4E 2232/4885

“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.