SCHEMBL4776483

SCHEMBL4776483

CN(C)c1cc(C(=O)c2cc(Br)cc(NS(C)(=O)=O)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A12 Q96S37 1/20 0.36
POLB P06746 1/20 0.35
CHUK O15111 2/20 0.35
INSR P06213 2/20 0.35
MAPK8 P45983 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4780604 0.84 PROKR1 (0.41) LMNAPROKR1
SCHEMBL3937437 0.83 CYP3A4 (0.38) CYP1A2CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL3925104 0.81 KCNK3 (0.41) CYP1A2CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL3937931 0.81 LMNA (0.49) SMN1; SMN2LMNAALDH1A1POLBITGA1
SCHEMBL4794593 0.78 PIP4K2A (0.52) CYP1A2CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL4796230 0.77 KDM4E (0.41) CYP1A2CYP3A4TP53LMNAMAPK1
SCHEMBL28819044 0.76 PROKR1 (0.47) MAPK1PROKR1
SCHEMBL4776885 0.76 PIK3CA (0.52) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL4774759 0.76 MEN1 (0.40) CYP1A2CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL3930503 0.75 NAMPT (0.49) CYP1A2CYP3A4SMN1; SMN2CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 CYP1A2 3628/4885CYP3A4 2281/4885TP53 60/4885

“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.