SCHEMBL1295681

SCHEMBL1295681

O=C1c2ccccc2C(=O)N1C/C(F)=C/Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.51
▸ RPS6KA2 Q15349 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ ACHE P22303 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL1295679 1.00 CASP3 (0.51) CASP3RPS6KA2POLBALDH1A1CA12
SCHEMBL1295683 1.00 CASP3 (0.51) CASP3RPS6KA2POLBALDH1A1CA12
SCHEMBL1295424 0.90 CA12 (0.53) CASP3POLBALDH1A1CA12CA9
SCHEMBL1295419 0.90 CA12 (0.53) CASP3POLBALDH1A1CA12CA9
SCHEMBL1295422 0.90 CA12 (0.53) CASP3POLBALDH1A1CA12CA9
SCHEMBL1296051 0.85 UBE2N (0.45) CASP3POLBALDH1A1CA12CA9
SCHEMBL1296045 0.85 UBE2N (0.45) CASP3POLBALDH1A1CA12CA9
SCHEMBL1296049 0.85 UBE2N (0.45) CASP3POLBALDH1A1CA12CA9
SCHEMBL1295599 0.84 NPC1 (0.56) CASP3RPS6KA2ALDH1A1NPC1RAB9A
SCHEMBL1295597 0.84 NPC1 (0.56) CASP3RPS6KA2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 — — US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 — — US disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 — — 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 (3 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-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 CASP3 1069/4885RPS6KA2 3612/4885POLB 1875/4885
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 CASP3 1069/4885RPS6KA2 3612/4885POLB 1875/4885
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 CASP3 1069/4885RPS6KA2 3612/4885POLB 1875/4885

“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.

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