SCHEMBL993441

SCHEMBL993441

COC(=O)c1ccccc1CCc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ LMNA P02545 3/20 0.59
▸ KDR P35968 1/20 0.59
▸ KMT2A Q03164 1/20 0.50
▸ SCN1A P35498 4/20 0.48
▸ SCN2A Q99250 4/20 0.48
▸ SCN3A Q9NY46 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ ADRB2 P07550 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ TSHR P16473 1/20 0.45

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
SCHEMBL31123666 0.87 ALDH1A1 (0.66) ALDH1A1LMNAKMT2ASCN1ASCN2A
SCHEMBL4068457 0.87 ALDH1A1 (0.66) ALDH1A1LMNAKMT2ASCN1ASCN2A
SCHEMBL10360804 0.85 ALDH1A1 (0.77) ALDH1A1LMNAKMT2APOLBKDM4E
SCHEMBL28095120 0.82 ALDH1A1 (0.52) ALDH1A1LMNAKDRKMT2APOLB
SCHEMBL21056760 0.82 KDM4E (0.51) ALDH1A1LMNAKMT2AKDM4ETSHR
SCHEMBL29373730 0.81 KDR (0.57) ALDH1A1LMNAKDRADRB2KDM4E
SCHEMBL13604313 0.80 PLA2G2A (0.49) ALDH1A1LMNAKDRKMT2APOLB
SCHEMBL13604312 0.80 KDR (0.64) ALDH1A1LMNAKDRADRB2KDM4E
SCHEMBL4354269 0.80 KDR (0.56) ALDH1A1LMNAKDRKMT2AADRB2
SCHEMBL17429661 0.79 ALDH1A1 (0.59) ALDH1A1LMNAKMT2ASCN1ASCN2A

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-20110009447-A1 Substituted Benzoic Acid Amides and Use thereof for the Inhibition of Angiogenesis SCHERING AG (DE) 2011-01-13 — — US disclosed
CN-1285578-C Substituted benzoic acid amides and their use in inhibiting angiogenesis SCHERING AG (DE) 2006-11-22 — — CN disclosed
CN-1426396-A Substituted benzoic acid amides and use for inhibition of angiogenesis thereof SCHERING AG (DE) 2003-06-25 — — CN 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-20110009447-A1 Substituted Benzoic Acid Amides and Use thereof for the Inhibition of Angiogenesis VEGFA, EGLN2, HIF1AN ALDH1A1 155/4885LMNA 3771/4885KDR 8/4885

“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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