SCHEMBL14006936

SCHEMBL14006936

C=C(Nc1ccc(C(=O)Nc2cccc(OC)c2)cc1)c1ccco1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.70
▸ RAB9A P51151 6/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ KMT2A Q03164 8/20 0.69
▸ MEN1 O00255 7/20 0.69
▸ ALDH1A1 P00352 5/20 0.62
▸ TP53 P04637 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ MAPT P10636 4/20 0.59
▸ GAA P10253 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ NLRP3 Q96P20 1/20 0.58
▸ TSHR P16473 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58

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
SCHEMBL6632076 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL10069472 0.81 KMT2A (0.83) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL7162285 0.81 NPC1 (0.83) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL10055020 0.80 NPC1 (0.94) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL24711194 0.78 KMT2A (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL4256368 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL94789 0.77 NPC1 (0.81) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4251080 0.77 NPC1 (0.81) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4252397 0.75 NPC1 (0.83) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL31179863 0.75 NPC1 (0.83) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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-20080293739-A1 COMPOUNDS FOR MODULATING T-CELLS UNIVERSITY OF UTAH RESEARCH FOUNDATION 2008-11-27 — — 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-20080293739-A1 COMPOUNDS FOR MODULATING T-CELLS CD4, HLA-DRB1, CD74 NPC1 4379/4885RAB9A 2276/4885SMN1; SMN2 1217/4885

“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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