SCHEMBL14726501

SCHEMBL14726501

CCCc1sc(N)nc1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
MAPT P10636 4/20 0.76
GAA P10253 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HTT P42858 1/20 0.72
FBP1 P09467 3/20 0.61
CYP1A2 P05177 3/20 0.60
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
POLB P06746 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.47
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10475629 0.90 ALDH1A1 (0.71) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL11470347 0.88 ALDH1A1 (0.68) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL1417462 0.88 ALDH1A1 (0.68) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL2174125 0.86 ALDH1A1 (1.00) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL25352297 0.85 SMN1; SMN2 (1.00) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL8558456 0.85 ALDH1A1 (0.68) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL2312682 0.84 SMN1; SMN2 (0.75) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL2590963 0.83 ALDH1A1 (0.66) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL12495533 0.83 ALDH1A1 (0.66) ALDH1A1MAPTGAASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6371660 0.83 ALDH1A1 (0.93) ALDH1A1MAPTGAASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190084932-A1 INDOLINE AND TETRAHYDROQUINOLINE SULFONYL INHIBITORS OF DIMETALLOENZYMES AND USE OF THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-21 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 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 (4 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-20190084932-A1 INDOLINE AND TETRAHYDROQUINOLINE SULFONYL INHIBITORS OF DIMETALLOENZYMES AND USE OF THE SAME MGAM, NNMT, INMT ALDH1A1 434/4885MAPT 2819/4885GAA 400/4885
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885MAPT 519/4885GAA 339/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ALDH1A1 2732/4885MAPT 417/4885GAA 1062/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885MAPT 519/4885GAA 339/4885

“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.