SCHEMBL5697708

SCHEMBL5697708

N#CCNc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CNR2 P34972 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NLRP3 Q96P20 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL10922836 0.86 CA2 (0.55) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL8395286 0.79 MAPT (0.58) CA2CA9MEN1KMT2ARAB9A
SCHEMBL2705170 0.78 GAA (0.59) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL31357262 0.77 THRB (0.39) CA2CA9CYP1A2CYP2C9CYP2C19
SCHEMBL4225554 0.77 CA12 (0.53) CA2CA9MEN1KMT2ACYP1A2
SCHEMBL196987 0.77 CA2 (0.46) CA2CA9RAB9AALDH1A1MAPT
SCHEMBL7439011 0.77 MEN1 (0.43) CA2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7109290 0.77 ALDH1A1 (0.47) CA2CA9MEN1KMT2ARECQL
SCHEMBL9172643 0.77 LOXL2 (0.48) CA2CA9MEN1KMT2ARAB9A
SCHEMBL17373965 0.77 CA2 (0.46) CA2CA9CYP1A2ALDH1A1MAPT

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-9957263-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-05-01 US disclosed
US-20160272630-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-09-22 US disclosed
EP-3013827-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 EP disclosed
WO-2014206345-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-12-31 WO disclosed
EP-1569909-B1 SUBSTITUTED PYRAZOLINE CARBOXANILIDES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2006-07-05 EP disclosed
US-20060100260-A1 Substituted pyrazoline carboxanilides for use as pesticides BAYER CROSCIENCE AG (DE) 2006-05-11 US disclosed
US-5342958-A Insecticides SOLVAY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1994-08-30 US disclosed
US-5245071-A Insecticides DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-09-14 US disclosed
US-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 US disclosed
US-5142064-A Larvicides has benzoyl or thiobenzoyl group DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-08-25 US disclosed
US-4420619-A Imidazole urea and amido compounds CIBA-GEIGY CORPORATION (US) 1983-12-13 US disclosed
EP-0004561-B1 UREA AND AMIDE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICALS CONTAINING THEM AND THEIR USE FOR PREPARING PHARMACEUTICAL COMPOSITIONS CIBA-GEIGY AG (CH) 1981-11-04 EP disclosed
US-4292429-A Imidazole urea and amido compounds CIBA-GEIGY CORPORATION (US) 1981-09-29 US disclosed
EP-0031965-A2 Process for the preparation of tricyclic compounds, intermediates useful in said process, novel tricyclic compounds so prepared and the use thereof as odoriferous agents Roure Bertrand Dupont Société Anonyme (FR) 1981-07-15 EP disclosed
US-4166124-A IMIDAZOLE OR PYRIMIDINE RINGS U.S. PHILIPS CORPORATION (US) 1979-08-28 US disclosed
US-4146647-A PHENYLAMIDOXIMES, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1979-03-27 US disclosed
US-4110469-A Insecticidal N-(2,6-dichlorobenzoyl)-N'-(4-cyanophenyl) urea U.S. PHILIPS CORPORATION (US) 1978-08-29 US disclosed
US-4013717-A BENZOYL PHENYL UREA DERIVATIVES HAVING INSECTICIDAL ACTIVITIES U.S. PHILIPS CORPORATION (US) 1977-03-22 US disclosed
US-3989842-A Certain substituted benzoyl urea insecticides U.S. PHILIPS CORPORATION (US) 1976-11-02 US disclosed
US-3933908-A INSECTICIDE U.S. PHILIPS CORPORATION (US) 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 (2 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-20160272630-A1 Bromodomain Inhibitors BRD4, BRDT, EP300 CA2 4542/4885CA9 4427/4885MEN1 2984/4885
US-20060100260-A1 Substituted pyrazoline carboxanilides for use as pesticides DDT, CHRM2, CHRM1 CA2 1281/4885CA9 2954/4885MEN1 2209/4885

“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.