SCHEMBL5280394

SCHEMBL5280394

O=C1C(c2ccncc2)=C(O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 4/20 1.00
NPC1 O15118 3/20 1.00
RAB9A P51151 3/20 1.00
TP53 P04637 2/20 1.00
MAPK10 P53779 1/20 1.00
HSD17B10 Q99714 1/20 1.00
P2RX7 Q99572 1/20 0.65
MAPK14 Q16539 1/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 3/20 0.54
USP2 O75604 1/20 0.54
APAF1 O14727 2/20 0.51
HSP90AA1 P07900 2/20 0.51
HSP90AB1 P08238 2/20 0.51
KDM4E B2RXH2 2/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL27645881 0.93 MAPT (0.86) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3927140 0.81 P2RX7 (0.69) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5282538 0.81 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL26655868 0.80 APAF1 (0.67) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4816777 0.78 NPC1 (0.64) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL10068409 0.76 P2RX7 (0.74) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL26907132 0.74 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29841238 0.74 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29841354 0.74 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29841241 0.74 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
EP-1865775-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM, LLC (BM) 2007-12-19 EP disclosed
WO-2006108107-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-10-12 WO disclosed
WO-2006108107-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-10-12 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 (2 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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB MAPT 2656/4885SMN1; SMN2 4005/4885ALDH1A1 4596/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN MAPT 4166/4885SMN1; SMN2 3947/4885ALDH1A1 3678/4885

“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.