SCHEMBL3470880

SCHEMBL3470880

COc1ccc(NC(=N)OC(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
TGM2 P21980 1/20 0.50
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
PLAU P00749 1/20 0.50
PLAT P00750 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SAE1 Q9UBE0 1/20 0.49

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
Bicarbonate SCHEMBL3975933 0.83 RAB9A (0.61) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL1186050 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53ALOX15
Hydrochloric Acid SCHEMBL3977693 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL3471103 0.79 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALOX15F2
SCHEMBL360387 0.78 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4105580 0.77 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53ALOX15
Nitric Acid SCHEMBL5354098 0.75 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4087493 0.75 RAB9A (0.66) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL3975948 0.75 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL2486682 0.74 RAB9A (0.70) NPC1RAB9ASMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2016-03-10 US disclosed
US-9234230-B2 Screening method and compounds for modulating telomerase activity THE WISTAR INSTITUTE (US) 2016-01-12 US disclosed
US-8518940-B2 FP-pocket-binding effectors and methods for using the same to modulate telomerase activity THE WISTAR INSTITUTE (US) 2013-08-27 US disclosed
US-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity THE WISTAR INSTITUTE (US) 2012-12-06 US disclosed
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity THE WISTAR INSTITUTE 2010-06-24 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 (3 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-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity TERT, TERB1, TERF2 NPC1 3713/4885RAB9A 3522/4885SMN1; SMN2 2738/4885
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity TERF2IP, TERF2, TERT NPC1 2074/4885RAB9A 3545/4885SMN1; SMN2 1674/4885
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY TERT, TERB1, TERF2 NPC1 3713/4885RAB9A 3522/4885SMN1; SMN2 2738/4885

“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.