SCHEMBL4548030

SCHEMBL4548030

Cc1ccccc1C(=O)N1CCN(C)CC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.77
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 4/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
HPGD P15428 2/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KMT2A Q03164 1/20 0.60
HTR2B P41595 1/20 0.56
MAPK14 Q16539 1/20 0.56
POLB P06746 1/20 0.54
CCR6 P51684 1/20 0.53
HSD11B1 P28845 1/20 0.52

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
SCHEMBL14818758 0.94 HTT (0.84) HTTL3MBTL1ALDH1A1CYP2C9CYP2C19
SCHEMBL10722320 0.93 HTT (0.89) HTTALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL10722273 0.89 L3MBTL1 (0.74) HTTL3MBTL1ALDH1A1HPGDMAPT
SCHEMBL14825166 0.87 HTT (1.00) HTTALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL14174296 0.86 HTT (0.58) HTTL3MBTL1ALDH1A1KMT2AHSD11B1
SCHEMBL3088384 0.86 HTT (0.77) HTTL3MBTL1ALDH1A1CYP2C9CYP2C19
SCHEMBL1520613 0.85 HTT (0.89) HTTALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL13162411 0.85 HTT (0.96) HTTALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL30530619 0.85 HTT (0.89) HTTALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL12625967 0.85 HTT (0.57) HTTL3MBTL1ALDH1A1HPGDKMT2A

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-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
WO-2015038778-A1 SUBSTITUTED UREA EIF2α KINASE ACTIVATORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-03-19 WO disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
WO-2010138820-A2 N,N-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-02 WO disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-4078066-A HYPOTENSIVE AGENTS, SURFACTANTS, BACTERICIDES AND WATER SOFTENERS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4033971-A HYPOTENSIVES, SURFACTANTS, BACTERICIDES, WATER SOFTENERS E. R. SQUIBB & SONS, INC. (US) 1977-07-05 US disclosed
US-3936465-A SURFACTANT, WATER SOFTENER, BACTERICIDE, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1976-02-03 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 (6 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD HTT 2091/4885L3MBTL1 699/4885ALDH1A1 1945/4885
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT HTT 171/4885L3MBTL1 462/4885ALDH1A1 3464/4885
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 HTT 1612/4885L3MBTL1 4514/4885ALDH1A1 88/4885
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators EIF2AK1, EIF2A, EIF4A2 HTT 203/4885L3MBTL1 881/4885ALDH1A1 4322/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD HTT 2129/4885L3MBTL1 258/4885ALDH1A1 2354/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 HTT 3933/4885L3MBTL1 3953/4885ALDH1A1 1659/4885

“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.