SCHEMBL3317239

SCHEMBL3317239

O=C(S)N1CCC(CBr)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
TACR3 P29371 1/20 0.30

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
SCHEMBL3316474 0.80 ALOX5 (0.44)
SCHEMBL1044396 0.80 TACR3 (0.34) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL31510779 0.78 KDM1A (0.36) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL12747180 0.78 EPHX2 (0.43) KDM4ETDP1
SCHEMBL23651895 0.78 NCF1 (0.46) LMNA
SCHEMBL3317695 0.75 EPHX2 (0.49) ALDH1A1NPC1
SCHEMBL3311715 0.74 MAPT (0.51) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3317367 0.74 MEN1 (0.43) ALDH1A1MEN1USP2KMT2A
SCHEMBL3316244 0.74 CXCR3 (0.38) ALDH1A1MEN1CYP3A4KMT2ANPC1
SCHEMBL25335914 0.72 TACR3 (0.39) ALDH1A1KDM4EMEN1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF DONG-A-PHARM. CO., LTD. (KR) 2010-04-29 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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF HTR4, HTR1A, TPH1 ALDH1A1 1208/4885KDM4E 2301/4885MEN1 3947/4885

“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.