SCHEMBL16157161

SCHEMBL16157161

COCCSc1nnc(-c2cccnc2)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.70
TP53 P04637 1/20 0.70
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
PKM P14618 1/20 0.61
RECQL P46063 1/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
LMNA P02545 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
STAT1 P42224 1/20 0.56
HPGD P15428 2/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 2/20 0.55

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
SCHEMBL16157071 0.85 MAPT (0.64) TP53ALDH1A1KDM4ESMN1; SMN2RECQL
SCHEMBL16157159 0.83 CYP1A2 (0.66) HTTTP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9058883 0.79 HTT (0.79) HTTTP53ALDH1A1SMN1; SMN2PKM
SCHEMBL17068797 0.78 TP53 (0.68) HTTTP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17068762 0.78 HTT (0.68) HTTTP53ALDH1A1SMN1; SMN2PKM
SCHEMBL16157136 0.78 MAPT (0.70) HTTTP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16944461 0.78 NPC1 (0.79) HTTALDH1A1KDM4ESMN1; SMN2RECQL
SCHEMBL26051623 0.77 HPGD (0.67) HTTTP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16157178 0.77 MAPT (0.54) HTTTP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL22607227 0.76 ALDH1A1 (0.76) HTTTP53ALDH1A1SMN1; SMN2PKM

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 HTT 4103/4885TP53 1197/4885ALDH1A1 599/4885
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB HTT 4103/4885TP53 1197/4885ALDH1A1 599/4885
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB HTT 4103/4885TP53 1197/4885ALDH1A1 599/4885

“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.