SCHEMBL6029641

SCHEMBL6029641

CC(C)N(C)C(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.55
TP53 P04637 2/20 0.55
TSHR P16473 2/20 0.55
ALOX15 P16050 2/20 0.55
USP2 O75604 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GRM1 Q13255 1/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
APP P05067 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.51
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50

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
SCHEMBL1591435 0.84 TP53 (0.56) HSD17B10TP53TSHRALOX15USP2
SCHEMBL29542879 0.84 HTT (0.54) HSD17B10TP53TSHRALOX15USP2
Hydrochloric Acid SCHEMBL28042957 0.83 TP53 (0.55) HSD17B10TP53TSHRALOX15USP2
SCHEMBL161322 0.82 ALDH1A1 (0.59) HSD17B10TP53TSHRALOX15USP2
SCHEMBL31699264 0.82 ALDH1A1 (0.59) HSD17B10TP53TSHRALOX15USP2
SCHEMBL28375786 0.81 F7 (0.53) HSD17B10TP53TSHRALOX15USP2
Bromide SCHEMBL6550191 0.80 ALDH1A1 (0.57) HSD17B10TP53TSHRALOX15USP2
SCHEMBL93651 0.80 ALDH1A1 (0.57) HSD17B10TP53TSHRALOX15USP2
Hydrochloric Acid SCHEMBL7835171 0.80 ALDH1A1 (0.57) HSD17B10TP53TSHRALOX15USP2
SCHEMBL29089330 0.80 ALDH1A1 (0.57) HSD17B10TP53TSHRALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331722-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-10-19 US disclosed
US-11560381-B1 Compounds and uses thereof FOGHORN THERAPEUTICS INC. (US) 2023-01-24 US disclosed
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 US disclosed
US-7671073-B2 Cyclohexylalanine derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-02 US disclosed
US-20080027093-A1 Cyclohexylalanine Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-31 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7125898-B2 Nicotinamide derivatives useful as p38 inhibitors. SMITHKLINE BEECHAM CORPORATION (US) 2006-10-24 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 (5 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-20230331722-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 HSD17B10 2945/4885TP53 31/4885TSHR 4793/4885
US-20080027093-A1 Cyclohexylalanine Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 HSD17B10 875/4885TP53 3700/4885TSHR 4219/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HSD17B10 2647/4885TP53 4383/4885TSHR 131/4885
US-11560381-B1 Compounds and uses thereof VHL, TFEB, BECN1 HSD17B10 2945/4885TP53 31/4885TSHR 4793/4885
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 HSD17B10 1614/4885TP53 4702/4885TSHR 587/4885

“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.