SCHEMBL157129

SCHEMBL157129

NC(=O)c1ccc(Br)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
KMT2A Q03164 2/20 0.53
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
PLAU P00749 1/20 0.47
SIRT6 Q8N6T7 2/20 0.45
ADORA3 P0DMS8 3/20 0.42
TSHR P16473 2/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
LCK P06239 1/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DGAT1 O75907 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL6470233 0.88 ALDH1A1 (0.58) KDM4EALDH1A1KMT2AADRA2AADRA2B
SCHEMBL157288 0.80 KDM4E (1.00) KDM4EALDH1A1KMT2ATSHRMEN1
SCHEMBL16751915 0.79 KDM4E (0.47) KDM4EALDH1A1KMT2AADRA2AADRA2B
SCHEMBL787729 0.78 ALDH1A1 (0.67) KDM4EALDH1A1KMT2AADRA2AADRA2B
SCHEMBL471438 0.78 ALDH1A1 (0.67) KDM4EALDH1A1KMT2AADRA2AADRA2B
Hydrochloric Acid SCHEMBL5934153 0.78 KDM4E (0.96) KDM4EALDH1A1KMT2AADRA2AADRA2B
SCHEMBL27660665 0.78 ALDH1A1 (0.67) KDM4EALDH1A1KMT2AADRA2AADRA2B
SCHEMBL3901156 0.78 KDM4E (0.96) KDM4EALDH1A1KMT2ATSHRMEN1
SCHEMBL16836253 0.78 KDM4E (0.55) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL29539391 0.78 ALDH1A1 (0.67) KDM4EALDH1A1KMT2AADRA2AADRA2B

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 335 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US claimed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP claimed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US claimed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 EP claimed
US-20180201582-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-07-19 US claimed
EP-3086845-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2016-11-02 EP claimed
US-20160297762-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2016-10-13 US claimed
WO-2015082357-A1 S1P3 ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2015-06-11 WO claimed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP claimed
WO-2014086453-A1 AZAHETEROBICYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2014-06-12 WO claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KDM4E 2087/4885ALDH1A1 1197/4885KMT2A 2120/4885
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK KDM4E 2630/4885ALDH1A1 1377/4885KMT2A 1881/4885
US-20180201582-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 KDM4E 3206/4885ALDH1A1 2988/4885KMT2A 2731/4885
US-20160297762-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 KDM4E 3206/4885ALDH1A1 2988/4885KMT2A 2731/4885
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA KDM4E 3151/4885ALDH1A1 2820/4885KMT2A 2085/4885
US-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 KDM4E 3206/4885ALDH1A1 2988/4885KMT2A 2731/4885
US-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 KDM4E 3206/4885ALDH1A1 2988/4885KMT2A 2731/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KDM4E 2087/4885ALDH1A1 1197/4885KMT2A 2120/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 KDM4E 2816/4885ALDH1A1 843/4885KMT2A 2331/4885

“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.