SCHEMBL16157178

SCHEMBL16157178

COCCSc1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
TP53 P04637 3/20 0.54
KDM4E B2RXH2 1/20 0.53
PTGS2 P35354 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSP90AA1 P07900 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL16157136 0.87 MAPT (0.70) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL16157071 0.85 MAPT (0.64) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL16157159 0.84 CYP1A2 (0.66) MAPTTP53KDM4EPTGS2NPC1
SCHEMBL31165739 0.80 CYP1A2 (0.69) MAPTTP53KDM4EPTGS2NPC1
SCHEMBL21041335 0.79 MAPT (0.44) MAPTTP53KDM4EPTGS2SMN1; SMN2
SCHEMBL16157161 0.77 HTT (0.70) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL17068791 0.76 TP53 (0.69) MAPTTP53KDM4EPTGS2NPC1
SCHEMBL17068758 0.76 HTT (0.56) MAPTTP53KDM4EPTGS2NPC1
SCHEMBL10364759 0.75 HTT (0.55) MAPTTP53KDM4EPTGS2NPC1
SCHEMBL8811234 0.75 HPGD (0.68) MAPTTP53KDM4EPTGS2NPC1

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 1197/4885KDM4E 3973/4885
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB MAPT 1682/4885TP53 1197/4885KDM4E 3973/4885
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB MAPT 1682/4885TP53 1197/4885KDM4E 3973/4885

“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.