SCHEMBL6492979

SCHEMBL6492979

c1ccc(CSc2nnc(-c3ccccc3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 3/20 0.58
HPGD P15428 1/20 0.58
GSK3B P49841 1/20 0.57
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
TERT O14746 1/20 0.54
FFAR1 O14842 1/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
CA1 P00915 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 2/20 0.49
PKM P14618 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL6489665 0.88 MEN1 (0.60) MEN1KMT2ALMNAHPGDGSK3B
SCHEMBL3263155 0.87 LMNA (0.72) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL8877644 0.85 LMNA (0.62) MEN1KMT2ALMNAHPGDGSK3B
SCHEMBL11117696 0.82 PKM (0.47) MEN1KMT2ALMNAHPGDGSK3B
SCHEMBL28419773 0.82 MEN1 (0.59) MEN1KMT2ALMNAHPGDGSK3B
SCHEMBL23137230 0.81 LMNA (0.66) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL24700466 0.81 LMNA (0.66) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL6501165 0.81 ALDH1A1 (0.80) MEN1KMT2ALMNAHPGDGSK3B
SCHEMBL28427660 0.80 ALDH1A1 (0.45) MEN1KMT2ALMNAHPGDGSK3B
SCHEMBL30901790 0.79 PTGS2 (0.57) MEN1KMT2ALMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894054-B2 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. (US) 2005-05-17 US claimed
EP-1357913-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2003-11-05 EP claimed
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. 2003-04-17 US claimed
WO-2002064135-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2002-08-22 WO claimed
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
US-6894054-B2 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. (US) 2005-05-17 US disclosed
EP-1357913-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2003-11-05 EP disclosed
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. 2003-04-17 US disclosed
WO-2002064135-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2002-08-22 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 (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-10301294-B2 Compounds for the treatment of tuberculosis GOT2, G6PD, FNTB MEN1 3612/4885KMT2A 3963/4885LMNA 1820/4885
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB MEN1 3612/4885KMT2A 3963/4885LMNA 1820/4885
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB MEN1 3612/4885KMT2A 3963/4885LMNA 1820/4885
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 SLC1A2, SLC1A1, SLC1A3 MEN1 2373/4885KMT2A 1157/4885LMNA 3529/4885

“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.