SCHEMBL17858736

SCHEMBL17858736

Cc1cccc(-c2cc(O)no2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
NPC1 O15118 7/20 0.45
TP53 P04637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
PTPN1 P18031 1/20 0.45
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
CHEK1 O14757 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL12266910 0.81 CSF1R (0.49) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL2959768 0.79 NPC1 (0.56) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL5157687 0.79 RAB9A (0.61) RAB9ANPC1MEN1KMT2APTPN1
SCHEMBL15805892 0.79 RAB9A (0.60) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL481400 0.79 HSD17B1 (0.49) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL8375633 0.79 RAB9A (0.54) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL1178549 0.78 PTPN1 (0.76) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL2900829 0.78 NOTUM (0.68) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL19728990 0.78 KIF11 (0.47) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL3103383 0.78 GRM5 (0.43) RAB9ANPC1TP53MEN1KMT2A

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 RAB9A 546/4885NPC1 2896/4885TP53 121/4885

“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.