SCHEMBL251565

SCHEMBL251565

COc1ccccc1C(=O)N(c1ccsc1)c1nc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSD P07339 1/20 0.36
KCNA3 P22001 4/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
KLKB1 P03952 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
FYN P06241 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
USP2 O75604 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL3201018 0.66 NPC1 (0.46) NPC1RAB9AL3MBTL1RORCRORB
SCHEMBL11609173 0.63 ADORA3 (0.60) NPC1RAB9ACTSDMEN1TP53
SCHEMBL2541558 0.63 CTSD (0.55) NPC1RAB9AL3MBTL1CTSDCDK4
SCHEMBL30130383 0.62 OPRM1 (0.56) NPC1RAB9ACTSDMEN1TP53
SCHEMBL27469820 0.62 CTSD (0.54) NPC1RAB9AL3MBTL1CTSDSMN1; SMN2
SCHEMBL812080 0.62 OPRM1 (0.56) NPC1RAB9ACTSDMEN1TP53
SCHEMBL24634050 0.61 HTT (0.53) NPC1RAB9AL3MBTL1CTSDCDK4
SCHEMBL15129377 0.61 CTSD (0.53) NPC1RAB9AL3MBTL1CTSDSMN1; SMN2
SCHEMBL529916 0.61 POLB (0.60) NPC1RAB9AL3MBTL1CTSDTP53
SCHEMBL5517147 0.61 TSHR (0.71) NPC1RAB9ACTSDMEN1TP53

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-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 NPC1 2818/4885RAB9A 3235/4885L3MBTL1 1620/4885

“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.