SCHEMBL1801536

SCHEMBL1801536

CCCNc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.56
AHR P35869 1/20 0.56
TNIK Q9UKE5 1/20 0.54
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
ABL1 P00519 1/20 0.41
TACR2 P21452 1/20 0.40
NPC1 O15118 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL1924747 0.87 MAPT (0.57) NR1I2AHRTNIKMAPTMEN1
SCHEMBL7793228 0.86 SMN1; SMN2 (0.56) NR1I2AHRTNIKMAPTSMN1; SMN2
SCHEMBL9639726 0.85 MAPT (0.55) MAPTCNR2LMNAMEN1KMT2A
SCHEMBL9730868 0.85 ABL1 (0.57) NR1I2AHRTNIKSMN1; SMN2CNR2
SCHEMBL8772460 0.83 ABL1 (0.60) SMN1; SMN2LMNAABL1PNLIP
SCHEMBL11337429 0.83 ABL1 (0.60) SMN1; SMN2LMNAABL1PNLIP
SCHEMBL3476394 0.83 ABL1 (0.60) SMN1; SMN2LMNAABL1PNLIP
SCHEMBL11339627 0.83 ABL1 (0.60) SMN1; SMN2LMNAABL1PNLIP
SCHEMBL11340617 0.83 ABL1 (0.60) SMN1; SMN2LMNAABL1PNLIP
SCHEMBL11322768 0.83 ABL1 (0.60) SMN1; SMN2LMNAABL1PNLIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 US disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1861372-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-05 EP disclosed
US-4479951-A CORONARY DIESASE DR. WILLMAR SCHWABE GMBH & CO. (DE) 1984-10-30 US disclosed
EP-0116729-A2 Benzoylurea compounds and pesticidal compositions comprisingsame DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1984-08-29 EP disclosed
US-4455428-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 US disclosed
US-4399285-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
EP-0014880-B1 PHENOXYCARBOXYLIC ACID AMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1982-09-22 EP disclosed
US-4334073-A BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed
EP-0044928-A1 1,4;3,6-Dianhydro-hexite-nitrate substituted by purine bases, process for their preparation and their pharmaceutical compositions Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-03 EP disclosed
EP-0002721-B1 PROCESS FOR PREPARING HYDRAZINES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0014880-A1 Phenoxycarboxylic acid amides, process for their preparation and their use as herbicides BAYER AG (DE) 1980-09-03 EP disclosed
EP-0002721-A2 Process for preparing hydrazines BAYER AG (DE) 1979-07-11 EP 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 NR1I2 1916/4885AHR 2254/4885TNIK 1887/4885
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 NR1I2 255/4885AHR 2078/4885TNIK 3590/4885

“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.