SCHEMBL6984302

SCHEMBL6984302

CNC(=O)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
KMT2A Q03164 6/20 0.63
NPC1 O15118 6/20 0.63
MEN1 O00255 5/20 0.63
HTT P42858 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
RAB9A P51151 4/20 0.63
MAPT P10636 3/20 0.63
NLRP1 Q9C000 1/20 0.63
LMNA P02545 3/20 0.58
NLRP3 Q96P20 2/20 0.58
EPHX1 P07099 2/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
SLC6A2 P23975 1/20 0.58
PDE4A P27815 1/20 0.58
EPHX2 P34913 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRM1 P35372 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL14029935 0.90 ALDH1A1 (0.81) ALDH1A1KMT2ANPC1MEN1HTT
SCHEMBL11838623 0.89 ALDH1A1 (0.79) ALDH1A1KMT2ANPC1MEN1HTT
SCHEMBL11768329 0.89 ALDH1A1 (0.79) ALDH1A1KMT2ANPC1MEN1HTT
SCHEMBL10155599 0.89 ALDH1A1 (0.78) ALDH1A1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL11769759 0.88 ALDH1A1 (0.77) ALDH1A1KMT2ANPC1MEN1HTT
SCHEMBL11768679 0.86 ALDH1A1 (0.74) ALDH1A1KMT2ANPC1MEN1HTT
SCHEMBL11048619 0.86 MEN1 (0.76) ALDH1A1KMT2ANPC1MEN1HTT
SCHEMBL4741253 0.86 MEN1 (0.76) ALDH1A1KMT2ANPC1MEN1HTT
SCHEMBL20852214 0.82 ALDH1A1 (0.69) ALDH1A1KMT2ANPC1SMN1; SMN2RAB9A
Monuron SCHEMBL21777086 0.81 TSHR (0.83) ALDH1A1KMT2ANPC1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US claimed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-20210206716-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-07-08 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
EP-3381995-B1 OIL-GELLING AGENT UNIV SHIZUOKA NAT UNIV CORP (JP) 2019-10-23 EP disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
EP-3087079-B1 OPIOID RECEPTOR MODULATING OXABICYCLO[2.2.2]OCTANE MORPHINANS PURDUE PHARMA LP (US) 2019-04-03 EP disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US disclosed
WO-2017180323-A1 PHENYL UREA DERIVATIVES AS N-FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2017-10-19 WO disclosed
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US disclosed
US-5661153-A FOR TREATING ALLERGIES, ASTHMA, DERMATITIS, GRAFT REJECTIONS JAPAN ENERGY CORPORATION (JP) 1997-08-26 US disclosed
EP-0700908-A1 1-Arylpyrimidine derivatives and pharmaceutical use thereof JAPAN ENERGY CORPORATION (JP) 1996-03-13 EP disclosed
US-5099021-A PROCESS FOR THE PREPARATION OF PURE, UNSYMMETRICALLY DISUBSTITUTED UREAS AGROLINZ AGRARCHEMIKALIEN GESELLSCHAFT M.B.H. (AT) 1992-03-24 US disclosed
US-4353732-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-10-12 US disclosed
US-4210440-A Urea derivatives, process for preparing the same and herbicidal composition containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1980-07-01 US disclosed
US-3934019-A FUNGICIDE, INSECTICIDE, MITICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 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 (5 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-20210206716-A1 UREA DERIVATIVE IDO1, IDO2, TPH1 ALDH1A1 439/4885KMT2A 2283/4885NPC1 3471/4885
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 ALDH1A1 3156/4885KMT2A 3931/4885NPC1 3392/4885
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 ALDH1A1 2014/4885KMT2A 2855/4885NPC1 3245/4885
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 ALDH1A1 4358/4885KMT2A 2966/4885NPC1 3652/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 ALDH1A1 3156/4885KMT2A 3931/4885NPC1 3392/4885

“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.