SCHEMBL2436697

SCHEMBL2436697

Nc1c(Br)cc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
CYP3A4 P08684 2/20 0.62
PDE7A Q13946 1/20 0.46
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.41
GALR3 O60755 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
CTSB P07858 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 1/20 0.38
ESPL1 Q14674 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL11677753 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4PDE7AHTTPOLB
SCHEMBL4914101 0.86 ALDH1A1 (0.58) ALDH1A1CYP3A4PDE7AHTTPOLB
SCHEMBL28588307 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4PDE7AHTTPOLB
SCHEMBL11649757 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4PDE7AHTTPOLB
SCHEMBL219209 0.82 ALDH1A1 (0.80) ALDH1A1CYP3A4HTTPOLBSMN1; SMN2
SCHEMBL31618848 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4PDE7AHTTPOLB
SCHEMBL29250782 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4PDE7AHTTPOLB
SCHEMBL15271018 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4PDE7AHTTPOLB
SCHEMBL9186844 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4PDE7AHTTPOLB
SCHEMBL29945744 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4PDE7AHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
US-9938411-B2 Disperse azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2018-04-10 US disclosed
EP-2655518-B1 DISPERSE AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2016-01-06 EP disclosed
EP-2655518-A1 DISPERSE AZO DYES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2013-10-30 EP disclosed
US-20130255011-A1 Disperse Azo Dyes HUNTSMAN INTERNATIONAL LLC (US) 2013-10-03 US disclosed
US-8299075-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
WO-2012084417-A1 DISPERSE AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2012-06-28 WO disclosed
CN-102516204-A Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H 2012-06-27 CN disclosed
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-12-01 US disclosed
EP-0039312-A1 Colour photopgraphic material for the silver-dye bleaching process, process for the production of this material and its use in the production of photographic images CIBA-GEIGY AG (CH) 1981-11-04 EP disclosed
US-4293566-A FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-4250089-A Process for diazotizing aromatic amines BAYER AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
US-4237048-A COLORFASTNESS; FOR DYEING NATURAL AND SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4183949-A Pesticidally active 1-arylamino-2,4-dinitronaphthalenes BAYER AKTIENGESELLSCHAFT (DE) 1980-01-15 US disclosed
US-4105655-A PHENYL-AZO-ANILINO DYESTUFF BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 US disclosed
US-4083844-A Phenylazo orthocyano phenylazo or orthocyano phenylazo phenylazo containing dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3978040-A Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3976633-A ANORECTIC, ANTIOBESITY SMITHKLINE CORPORATION (US) 1976-08-24 US disclosed
US-3962209-A PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 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 (1 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-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRL1 ALDH1A1 1483/4885CYP3A4 82/4885PDE7A 1197/4885

“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.