SCHEMBL7539669

SCHEMBL7539669

O=C(Nc1cccc2ccccc12)c1ccc(O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.58
EP300 Q09472 1/20 0.58
PRMT1 Q99873 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GAA P10253 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57

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
SCHEMBL21275460 0.85 RAB9A (0.76) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL331600 0.84 NPC1 (0.69) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL17419431 0.83 MEN1 (0.72) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL31722789 0.81 NPC1 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL2743115 0.81 NPC1 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL29575361 0.81 NPC1 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL7672569 0.81 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.69) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL7543587 0.81 NPC1 (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL30186404 0.81 NPC1 (0.69) NPC1RAB9AHSD17B10SMN1; SMN2MEN1
SCHEMBL25680644 0.81 NPC1 (0.69) NPC1RAB9AHSD17B10SMN1; SMN2MEN1

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
CN-1441637-A Compositions for repelling crawling insects BAYER AG (DE) 2003-09-10 CN disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 NPC1 4384/4885RAB9A 1587/4885CYP1A2 1275/4885

“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.