SCHEMBL3605700

SCHEMBL3605700

CC(=O)N(O)C(=O)Cc1csc(N(Cc2cccs2)C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TRPM8 Q7Z2W7 12/20 0.40
POLB P06746 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR2 Q92731 1/20 0.39
CFTR P13569 1/20 0.36

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
SCHEMBL3600415 0.83 MEN1 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3608154 0.83 MEN1 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3610113 0.83 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3611539 0.82 HDAC1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8248429 0.72 MEN1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3610003 0.68 GSTO1 (0.53) MEN1KMT2AL3MBTL1POLB
SCHEMBL5592733 0.66 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2APOLBTDP1
SCHEMBL28277053 0.66 TRPM8 (0.59) SMN1; SMN2TRPM8POLBTDP1
SCHEMBL5438790 0.66 TRPM8 (0.58) TRPM8POLBTDP1
SCHEMBL3602399 0.65 GSTO1 (0.50) POLB

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 NPC1 139/4885RAB9A 601/4885SMN1; SMN2 3278/4885

“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.