SCHEMBL3978730

SCHEMBL3978730

CCC#Cc1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.55
ALDH1A1 P00352 6/20 0.55
CYP1A2 P05177 5/20 0.55
CYP2C9 P11712 5/20 0.55
CYP2C19 P33261 5/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
HSP90AA1 P07900 1/20 0.43
NTSR1 P30989 1/20 0.43
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALOX15 P16050 1/20 0.38

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
SCHEMBL29984901 0.83 CYP3A4 (0.61) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL550215 0.83 CYP3A4 (0.61) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2808025 0.82 CYP3A4 (0.48) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7833889 0.80 CYP3A4 (0.67) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31026506 0.80 CYP3A4 (0.67) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2929973 0.80 CYP2C19 (0.56) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6693749 0.79 CYP3A4 (0.70) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16346261 0.78 ALDH1A1 (0.65) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1922269 0.78 CYP3A4 (0.76) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31333138 0.77 CYP3A4 (0.68) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009050237-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-20080177085-A1 Process for the Synthesis of a CPLA2 Inhibitor DEHNHARDT CHRISTOPH M 2008-07-24 US disclosed
US-7342119-B2 Process for the synthesis of a CPLA2 inhibitor WYETH HOLDINGS CORPORATION 2008-03-11 US disclosed
US-20050070723-A1 Process for the synthesis of a CPLA2 inhibitor WYETH HOLDINGS CORPORATION (US) 2005-03-31 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 (2 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-20050070723-A1 Process for the synthesis of a CPLA2 inhibitor PLAA, PLA2G4A, PLA2G12A CYP3A4 521/4885ALDH1A1 3682/4885CYP1A2 196/4885
US-20080177085-A1 Process for the Synthesis of a CPLA2 Inhibitor PLAA, PLA2G4A, PLA2G12A CYP3A4 521/4885ALDH1A1 3682/4885CYP1A2 196/4885

“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.