SCHEMBL16157136

SCHEMBL16157136

COCCSc1nnc(-c2ccc(C)cc2)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
TP53 P04637 5/20 0.70
SMN1; SMN2 Q16637 7/20 0.68
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
TSHR P16473 4/20 0.68
POLB P06746 2/20 0.59
TDP1 Q9NUW8 3/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 2/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
PLA2G1B P04054 1/20 0.53
NFKB1 P19838 1/20 0.53
CASP3 P42574 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SENP8 Q96LD8 1/20 0.53

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
SCHEMBL16157178 0.87 MAPT (0.54) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL16157071 0.87 MAPT (0.64) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL16157159 0.85 CYP1A2 (0.66) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL25856004 0.80 SMN1; SMN2 (0.72) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL9063892 0.78 SMN1; SMN2 (0.66) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL16157161 0.78 HTT (0.70) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL21447020 0.78 RAB9A (0.64) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL17068761 0.77 SMN1; SMN2 (0.64) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL17068795 0.77 MAPT (0.73) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL17068788 0.76 HSP90AA1 (0.74) MAPTTP53SMN1; SMN2NPC1RAB9A

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-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS MASSACHUSETTS GENERAL HOSPITAL 2020-05-07 US disclosed
US-10301294-B2 Compounds for the treatment of tuberculosis The Broad Institute Inc. (US) 2019-05-28 US disclosed
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS NIH - DEITR 2016-02-04 US disclosed
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS NIH - DEITR 2016-02-04 US disclosed
WO-2014165090-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2014-10-09 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 (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-10301294-B2 Compounds for the treatment of tuberculosis GOT2, G6PD, FNTB MAPT 1682/4885TP53 1197/4885SMN1; SMN2 4593/4885
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB MAPT 1682/4885TP53 1197/4885SMN1; SMN2 4593/4885
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB MAPT 1682/4885TP53 1197/4885SMN1; SMN2 4593/4885

“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.