SCHEMBL363391

SCHEMBL363391

CNC(=O)CCc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MTNR1A P48039 3/20 0.48
MTNR1B P49286 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
HPGD P15428 2/20 0.45
P2RX7 Q99572 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11217566 0.82 ALDH1A1 (0.79) NOTUMALDH1A1HPGDP2RX7HTT
SCHEMBL3068210 0.81 HSPA5 (0.48) MTNR1AMTNR1BTAAR1CCNCCDK8
SCHEMBL5298485 0.81 NPC1 (0.54) ALDH1A1HPGDP2RX7HTTPOLB
SCHEMBL18086762 0.81 NOTUM (0.52) NOTUMALDH1A1TAAR1HPGDL3MBTL1
SCHEMBL7331759 0.80 TAAR1 (0.54) NOTUMALDH1A1TAAR1HPGDHTT
SCHEMBL6319492 0.80 TAAR1 (0.55) MTNR1AMTNR1BTAAR1CCNCCDK8
SCHEMBL12851277 0.80 TAAR1 (0.55) ALDH1A1MTNR1AMTNR1BTAAR1
SCHEMBL6959430 0.79 TAAR1 (0.52) NOTUMALDH1A1TAAR1HPGDHTT
SCHEMBL1404957 0.79 IAPP (0.56) NOTUMALDH1A1TAAR1HPGDLMNA
SCHEMBL29843018 0.79 IAPP (0.56) NOTUMALDH1A1TAAR1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US claimed
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2023-06-29 US disclosed
CN-103153945-B 1-oximino-3-phenyl-propanes HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
CN-103153945-A 1-oximino-3-phenyl-propanes HOFFMANN LA ROCHE 2013-06-12 CN disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US 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-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP NOTUM 2836/4885ALDH1A1 2767/4885MTNR1A 2918/4885

“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.