SCHEMBL17858741

SCHEMBL17858741

Cc1cccc(-c2cc(O)n[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NOTUM Q6P988 1/20 0.46
IDO1 P14902 1/20 0.46
METAP2 P50579 1/20 0.46
ALOX15 P16050 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NFKB1 P19838 1/20 0.44
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL20465066 0.83 NOTUM (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL13886508 0.82 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL29114953 0.82 KMO (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL30683711 0.82 KMO (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL18218782 0.81 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL24897238 0.80 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL17279800 0.80 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL28572920 0.80 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL30512092 0.80 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL403442 0.79 KMT2A (0.66) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
WO-2016100347-A2 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-06-23 WO 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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 NPC1 2896/4885RAB9A 546/4885SMN1; SMN2 4865/4885

“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.