SCHEMBL433567

SCHEMBL433567

CC(=O)c1cncc(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.63
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 1/20 0.57
DDO Q99489 1/20 0.57
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
RAF1 P04049 1/20 0.44
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
HCAR3 P49019 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL31064103 1.00 HCAR2 (0.63) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3500223 0.91 MKNK1 (0.55) HCAR2ALDH1A1KDM4EMEN1KMT2A
Acetic Acid SCHEMBL28240357 0.88 HCAR2 (0.65) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL51830 0.88 HCAR2 (0.70) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7661020 0.85 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19987838 0.85 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Bromide SCHEMBL21332093 0.85 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Fluoride SCHEMBL21331909 0.85 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7124062 0.85 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL1117746 0.85 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 US disclosed
US-20230295125-A1 METALLOENZYME INHIBITORS FOR TREATING CANCERS, ALZHEIMER'S DISEASE, HEMOCHROMATOSIS, AND OTHER DISORDERS MIRALOGX LLC (US) 2023-09-21 US disclosed
US-20230295125-A1 METALLOENZYME INHIBITORS FOR TREATING CANCERS, ALZHEIMER'S DISEASE, HEMOCHROMATOSIS, AND OTHER DISORDERS MIRALOGX LLC (US) 2023-09-21 US disclosed
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
US-20230039858-A1 COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION INTOCELL, INC. (KR) 2023-02-09 US disclosed
US-11084801-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2021-08-10 US disclosed
US-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 US disclosed
WO-2021111185-A1 COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION INTOCELL, INC. (KR) 2021-06-10 WO disclosed
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2019-10-24 US disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 WO disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2013-11-28 US disclosed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
CN-101263130-B 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV 2011-03-09 CN disclosed
CN-101263130-A 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2008-09-10 CN 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 (8 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-20230295125-A1 METALLOENZYME INHIBITORS FOR TREATING CANCERS, ALZHEIMER'S DISEASE, HEMOCHROMATOSIS, AND OTHER DISORDERS HMOX1, FECH, SLC40A1 HCAR2 2999/4885ALDH1A1 1350/4885KDM4E 1720/4885
US-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 HCAR2 505/4885ALDH1A1 900/4885KDM4E 1492/4885
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 HCAR2 37/4885ALDH1A1 582/4885KDM4E 3173/4885
US-20230039858-A1 COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION FCGR2A, FCGRT, FCGR3B HCAR2 3704/4885ALDH1A1 200/4885KDM4E 3090/4885
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP11B2, HSD11B2 HCAR2 872/4885ALDH1A1 300/4885KDM4E 3294/4885
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 HCAR2 3226/4885ALDH1A1 1469/4885KDM4E 911/4885
US-11084801-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 HCAR2 505/4885ALDH1A1 900/4885KDM4E 1492/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 HCAR2 3226/4885ALDH1A1 1469/4885KDM4E 911/4885

“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.