SCHEMBL1287328

SCHEMBL1287328

CC(C)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PNMT P11086 2/20 0.53
TSHR P16473 2/20 0.51
KCNH2 Q12809 2/20 0.50
TMEM97 Q5BJF2 2/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
IDO1 P14902 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
PLA2G1B P04054 1/20 0.44
POLB P06746 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
Hydrochloric Acid SCHEMBL18130480 0.98 MEN1 (0.54) MEN1KMT2APNMTTSHRKCNH2
SCHEMBL7263101 0.85 PNMT (0.59) MEN1KMT2APNMTTSHRKCNH2
SCHEMBL9079836 0.85 TSHR (0.53) MEN1KMT2APNMTTSHRKCNH2
Hydrochloric Acid SCHEMBL11366476 0.83 TSHR (0.51) MEN1KMT2APNMTTSHRKCNH2
SCHEMBL12312596 0.83 CNR2 (0.44) MEN1KMT2ATSHRKCNH2TMEM97
Hydrochloric Acid SCHEMBL1000379 0.82 MEN1 (0.40) MEN1KMT2APNMTTSHRKCNH2
SCHEMBL4030875 0.82 MEN1 (0.57) MEN1KMT2APNMTTSHRKCNH2
SCHEMBL14438281 0.81 SIGMAR1 (0.54) MEN1KMT2APNMTKCNH2TMEM97
SCHEMBL9781364 0.80 MEN1 (0.53) MEN1KMT2AGAA
SCHEMBL23754505 0.79 SMN1; SMN2 (0.59) MEN1KMT2AKCNH2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-06 US disclosed
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-10676446-B2 Bicyclic quinazolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-09 US disclosed
US-10391070-B2 Compositions and methods for treating neurological diseases or injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-08-27 US disclosed
US-20180185306-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-07-05 US disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 US disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 US disclosed
CN-107428754-A Two ring Quinazol derivatives 豪夫迈·罗氏有限公司 2017-12-01 CN disclosed
WO-2016162390-A1 BICYCLIC QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-10-13 WO disclosed
WO-2014074976-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-05-15 WO disclosed
US-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 MEN1 1931/4885KMT2A 2242/4885PNMT 2400/4885
US-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF MEN1 4784/4885KMT2A 736/4885PNMT 2181/4885
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 MEN1 1931/4885KMT2A 2242/4885PNMT 2400/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 MEN1 2566/4885KMT2A 2078/4885PNMT 102/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 MEN1 4878/4885KMT2A 2395/4885PNMT 86/4885
US-10391070-B2 Compositions and methods for treating neurological diseases or injury PROC, GLS, NLN MEN1 1834/4885KMT2A 1760/4885PNMT 2398/4885
US-10676446-B2 Bicyclic quinazolinone derivatives BRD4, BICRA, NDUFC2 MEN1 1931/4885KMT2A 2242/4885PNMT 2400/4885
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF TGFBR2, ASGR1, TGFBR1 MEN1 2700/4885KMT2A 2093/4885PNMT 4730/4885
US-20180185306-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY PROC, GLS, NLN MEN1 1834/4885KMT2A 1760/4885PNMT 2398/4885

“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.