SCHEMBL1623876

SCHEMBL1623876

CCc1ccc(-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TSHR P16473 3/20 0.58
CYP3A4 P08684 1/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHKA P35790 4/20 0.52
HRH3 Q9Y5N1 3/20 0.46
HDAC8 Q9BY41 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL44501 0.93 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4MAPK1TDP1
Hydrochloric Acid SCHEMBL2870922 0.90 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL13821789 0.86 ALDH1A1 (0.81) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL10062463 0.85 HRH3 (0.46) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL919282 0.85 HRH3 (0.46) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL2776957 0.82 TP53 (0.56) ALDH1A1TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL1702558 0.82 TP53 (0.56) ALDH1A1TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL124209 0.82 ALDH1A1 (0.79) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL11547412 0.82 ALDH1A1 (0.79) ALDH1A1TSHRCYP3A4MAPK1TDP1
Methane SCHEMBL2520492 0.81 ALDH1A1 (0.81) ALDH1A1TSHRCYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
EP-3309618-A1 POLYCARBONATE CONTAINING PHOTOCONDUCTORS Xerox Corporation (US) 2018-04-18 EP disclosed
WO-2017049172-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20090253686-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-10-08 US disclosed
US-20090253686-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-10-08 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
WO-2007053193-A2 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
WO-2007053725-A2 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 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 (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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ALDH1A1 2869/4885TSHR 4456/4885CYP3A4 2947/4885
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 ALDH1A1 1177/4885TSHR 980/4885CYP3A4 800/4885
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ALDH1A1 2869/4885TSHR 4456/4885CYP3A4 2947/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 ALDH1A1 1703/4885TSHR 4691/4885CYP3A4 3533/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 ALDH1A1 2225/4885TSHR 1574/4885CYP3A4 21/4885
US-20090253686-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS GABRA5, GABRA3, GABRA6 ALDH1A1 2225/4885TSHR 1574/4885CYP3A4 21/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 ALDH1A1 1177/4885TSHR 980/4885CYP3A4 800/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 ALDH1A1 1113/4885TSHR 4539/4885CYP3A4 1399/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 ALDH1A1 1177/4885TSHR 980/4885CYP3A4 800/4885

“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.