SCHEMBL661893

SCHEMBL661893

CSCCOc1cn[c]nc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12411449 0.78 NPC1 (0.33) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL504280 0.76 NPC1 (0.36) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL13400767 0.73 NPC1 (0.31) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL6289647 0.72
SCHEMBL662669 0.71
SCHEMBL3159603 0.69 NPC1 (0.36) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL662564 0.69 HRH3 (0.30)
SCHEMBL11285757 0.68 KCNA3 (0.58) NPC1RAB9A
SCHEMBL13461862 0.67 DRD2 (0.52) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13059256 0.67 NPC1 (0.58) NPC1RAB9ACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD NPC1 1827/4885RAB9A 845/4885CYP1A2 669/4885

“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.