SCHEMBL6502832

SCHEMBL6502832

CCCCc1ccc(C(C=O)c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
S1PR1 P21453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CA2 P00918 2/20 0.39
AURKA O14965 1/20 0.39
MEN1 O00255 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
SCHEMBL6500197 0.90 HTT (0.43) SMN1; SMN2LMNAHTTTSHRALDH1A1
SCHEMBL6501378 0.83 RAB9A (0.44) SMN1; SMN2LMNATSHRALDH1A1NPC1
SCHEMBL6061470 0.77 HTR2A (0.47) LMNAALDH1A1HSD17B10THRATHRB
SCHEMBL346623 0.75 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTTSHRALDH1A1
SCHEMBL6504970 0.74 CYP19A1 (0.39) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL17241692 0.73 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
Fluoride SCHEMBL29251977 0.73 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTTSHRALDH1A1
Bromide SCHEMBL547143 0.73 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTTSHRALDH1A1
SCHEMBL27861065 0.72 SMN1; SMN2 (0.64) SMN1; SMN2LMNAHTTTSHRALDH1A1
SCHEMBL27037085 0.72 MAPK1 (0.48) SMN1; SMN2LMNATSHRALDH1A1NPC1

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-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 SMN1; SMN2 4112/4885LMNA 3321/4885HTT 4847/4885

“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.