SCHEMBL251660

SCHEMBL251660

O=C(Nc1nccs1)c1ncccc1-n1ccnn1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
METAP2 P50579 1/20 0.51
RAB9A P51151 1/20 0.51
METAP1 P53582 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL252955 0.81 HCRTR1 (0.43)
SCHEMBL979251 0.80 ATR (0.50) RAB9A
SCHEMBL16826513 0.77 HCRTR1 (0.42) L3MBTL1
SCHEMBL14284386 0.76 NPC1 (0.61) NPC1LMNAMETAP2RAB9AMETAP1
SCHEMBL27622181 0.75 NPC1 (0.66) NPC1LMNAMETAP2RAB9AMETAP1
SCHEMBL18039131 0.74 HCRTR1 (0.44) L3MBTL1
SCHEMBL23752387 0.73 METAP1 (0.68) METAP1
SCHEMBL21067821 0.69 METAP1 (0.73) METAP1
SCHEMBL1897970 0.68 NPC1 (1.00) NPC1LMNAMETAP2RAB9AMETAP1
SCHEMBL7016457 0.67 NPC1 (0.70) NPC1LMNAMETAP2RAB9AMETAP1

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 2818/4885LMNA 1842/4885METAP2 4322/4885

“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.