SCHEMBL4050847

SCHEMBL4050847

C=CCNc1cc(C(F)(F)F)ccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CFTR P13569 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TGM2 P21980 1/20 0.40
CES2 O00748 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
KDR P35968 1/20 0.39
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
GRIK1 P39086 1/20 0.38
LMNA P02545 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
SCHEMBL3889836 0.79 LIPC (0.61) ALDH1A1KDM4EHPGDHSD17B10LIPC
SCHEMBL21562580 0.77 TRPV1 (0.45) CYP1A2CYP2C19
SCHEMBL14454098 0.76 CFTR (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5325478 0.76 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C19CFTR
SCHEMBL1326322 0.74 AGTR1 (0.50) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL1308388 0.72 CFTR (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL3222871 0.72 LMNA (0.36) ALDH1A1KDM4EMEN1KMT2ATGM2
SCHEMBL2856789 0.71 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL29753880 0.71 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5265322 0.70 LIPC (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846410-B1 DIHYDROQUINAZOLINONES AS 5HT MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-01-21 EP disclosed
US-7238702-B2 Dihydroquinazolinones as 5HT modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7211117-B2 Composition for dyeing keratin fibers comprising at least one dye chosen from monoheteroyldiarylmethane direct dyes and the leuco precursors thereof and dyeing method using it L'OREAL S.A. (FR) 2007-05-01 US disclosed
US-20060178386-A1 Dihydroquinazolinones as 5HT modulators BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 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-20060178386-A1 Dihydroquinazolinones as 5HT modulators HTR3B, HTR2C, HTR2B ALDH1A1 2732/4885CYP1A2 538/4885CYP3A4 479/4885

“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.