SCHEMBL2554030

SCHEMBL2554030

Fc1cccc(F)c1CCCBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
DAO P14920 1/20 0.38
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLS O94925 1/20 0.34
ACHE P22303 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
BACE1 P56817 1/20 0.31
MPO P05164 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL18006940 0.91 TAAR1 (0.39) TAAR1DAOKDM4EGAASMN1; SMN2
SCHEMBL28857278 0.85 LMNA (0.38) TAAR1DAOKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7701701 0.79 TAAR1 (0.52) TAAR1DAOKDM4EGAASMN1; SMN2
SCHEMBL5734084 0.78 TAAR1 (0.54) TAAR1DAOGAAMPOSLC6A4
SCHEMBL14671415 0.76 SMN1; SMN2 (0.46) TAAR1DAOKDM4EGAASMN1; SMN2
SCHEMBL18243095 0.76 TAAR1 (0.42) TAAR1DAOKDM4EGAASMN1; SMN2
SCHEMBL6130256 0.76 TAAR1 (0.42) TAAR1DAOKDM4EGAASMN1; SMN2
SCHEMBL2551774 0.76 TAAR1 (0.42) TAAR1DAOKDM4EGAASMN1; SMN2
SCHEMBL4610765 0.76 TAAR1 (0.39) TAAR1SIRT2CES2CES1MPO
SCHEMBL21312981 0.74 MEN1 (0.49) TAAR1KDM4ESMN1; SMN2TDP1MEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180206495-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-26 US disclosed
US-20180206491-A1 SUBSTITUTED CYCLIC ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-26 US disclosed
EP-3325446-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 EP disclosed
EP-3325466-A1 SUBSTITUTED CYCLIC ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 EP disclosed
CN-107848977-A Substituted aryl-and heteroarylcarboxylic acid hydrazides or salts thereof and their use for increasing stress tolerance in plants 拜耳农作物科学股份公司 2018-03-27 CN disclosed
EP-3210469-A1 USE OF SUBSTITUTED THIO-1,2,4-TRIAZOLES FOR INCREASING STRESS TOLERANCE IN PLANTS Bayer Cropscience AG (DE) 2017-08-30 EP disclosed
WO-2017012966-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 WO disclosed
WO-2017012922-A1 SUBSTITUTED CYCLIC ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 WO disclosed
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
EP-1311471-B1 PHENYL- AND PHENYLALKYL-SUBSTITUTED ETHANOLAMINES AND ETHYLENEDIAMINES BOEHRINGER INGELHEIM PHARMA (DE) 2006-04-12 EP disclosed
US-6770636-B2 CENTRAL NERVOUS SYSTEM DISORDERS THERAPY BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-08-03 US disclosed
EP-1311471-A1 PHENYL- AND PHENYLALKYL-SUBSTITUTED ETHANOLAMINES AND ETHYLENEDIAMINES Boehringer Ingelheim Pharma KG (DE) 2003-05-21 EP disclosed
US-20020042410-A1 Phenyl-and phenylalkyl-substituted ethanolamines and ethylenediamines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-11 US disclosed
WO-2002016308-A1 PHENYL- AND PHENYLALKYL-SUBSTITUTED ETHANOLAMINES AND ETHYLENEDIAMINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-02-28 WO 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 (4 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS TAAR1 3574/4885DAO 2115/4885KDM4E 2353/4885
US-20020042410-A1 Phenyl-and phenylalkyl-substituted ethanolamines and ethylenediamines AOC2, CYC1, CYCS TAAR1 245/4885DAO 485/4885KDM4E 3017/4885
US-20180206491-A1 SUBSTITUTED CYCLIC ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS CBR3, PAH, HPD TAAR1 1369/4885DAO 135/4885KDM4E 3017/4885
US-20180206495-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PAH, CBR3, CAT TAAR1 1400/4885DAO 72/4885KDM4E 2467/4885

“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.