SCHEMBL13161968

SCHEMBL13161968

Cc1ccccc1C(=O)NC1CNC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ GLA P06280 1/20 0.58
▸ POLB P06746 3/20 0.53
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ ALOX15 P16050 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HPGD P15428 3/20 0.49
▸ P2RX7 Q99572 1/20 0.48

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
Hydrochloric Acid SCHEMBL4937740 0.86 NPC1 (0.62) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL1278935 0.85 NPC1 (0.69) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL1674869 0.85 NPC1 (0.69) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL1278937 0.85 NPC1 (0.69) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL457993 0.84 NPC1 (0.84) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL594263 0.84 NPC1 (0.72) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162641 0.81 NPC1 (0.90) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL31465123 0.81 HTT (0.66) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13164090 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162659 0.81 NPC1 (0.97) NPC1RAB9ASMN1; SMN2GLAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 — — EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 — — US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 — — EP 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 NPC1 4144/4885RAB9A 4223/4885SMN1; SMN2 3213/4885

“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.

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