SCHEMBL251580

SCHEMBL251580

O=C(c1ccccn1)N(c1ccsc1)c1nc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
LMNA P02545 2/20 0.36
NAPRT Q6XQN6 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
GRM4 Q14833 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CTNNB1 P35222 1/20 0.33

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
SCHEMBL980972 0.86 L3MBTL1 (0.44) NPC1RAB9AGAACES2CES1
SCHEMBL251565 0.79 NPC1 (0.37) NPC1RAB9AGAAL3MBTL1SMN1; SMN2
SCHEMBL2754259 0.68 HTT (0.42) NPC1RAB9AGAAL3MBTL1LMNA
SCHEMBL2848952 0.67 LMNA (0.59) NPC1RAB9AGAACES2CES1
SCHEMBL2754261 0.65 HTT (0.40) GAAL3MBTL1ALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL10541586 0.64 NPSR1 (0.40) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL2754920 0.62 HTT (0.37) NPC1RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL4484238 0.62 LMNA (0.55) NPC1RAB9AGAACES2CES1
SCHEMBL31006490 0.62 LMNA (0.55) NPC1RAB9AGAACES2CES1
SCHEMBL7553922 0.62 KMT2A (0.65) NPC1RAB9AGAACES2CES1

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 3235/4885GAA 4325/4885

“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.