SCHEMBL13201267

SCHEMBL13201267

Cc1ccc(/N=N/c2ncc[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.58
RAB9A P51151 7/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
HSP90AA1 P07900 2/20 0.58
AGTR1 P30556 1/20 0.58
NISCH Q9Y2I1 1/20 0.48
MAPT P10636 11/20 0.42
ALDH1A1 P00352 7/20 0.42
MAPK1 P28482 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
LMNA P02545 6/20 0.39
L3MBTL1 Q9Y468 4/20 0.39

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
SCHEMBL6933089 0.81 MEN1 (0.58) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL18066434 0.81 MEN1 (0.58) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL14606324 0.81 MEN1 (0.58) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL11609544 0.81 MEN1 (0.58) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL6933093 0.81 MEN1 (0.58) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL11609547 0.81 MEN1 (0.58) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL5174649 0.80 NPC1 (0.54) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL3168850 0.80 RAB9A (0.54) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL3168842 0.80 RAB9A (0.54) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL18087701 0.80 NPC1 (0.54) NPC1RAB9AKMT2AMEN1HSP90AA1

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-7771490-B2 Dyes containing a thiol group CIBA CORPORATION (US) 2010-08-10 US disclosed
US-20090300857-A1 hair dyes; washfast; thioethylation CIBA CORPORATION (US) 2009-12-10 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-20090300857-A1 hair dyes; washfast; thioethylation TMT1A, WASHC4, TPH1 NPC1 3841/4885RAB9A 3435/4885KMT2A 1436/4885

“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.