SCHEMBL4368141

SCHEMBL4368141

NNCc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
IDO1 P14902 2/20 0.58
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
HTR2C P28335 1/20 0.56
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
MLYCD O95822 1/20 0.51
APP P05067 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL4239980 0.84 DPP7 (0.59) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL541044 0.84 TAAR1 (0.58) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL28945212 0.81 TAAR1 (0.66) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL46769 0.81 MLYCD (0.55) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL18901273 0.81 TAAR1 (0.55) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL29988585 0.81 MRGPRX4 (0.57) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL15129325 0.81 TAAR1 (0.55) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL42728 0.81 MRGPRX4 (0.57) TAAR1IDO1HTR2AHTR2BHTR2C
Hydrochloric Acid SCHEMBL11525399 0.80 TAAR1 (0.64) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL2025172 0.79 IDO1 (0.52) TAAR1IDO1CYP3A4MAPTMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
CN-102617397-B Ortho-formyl aminobenzoyl hydrazide compound, preparation method thereof and application UNIV CHINA AGRICULTURAL 2015-04-22 CN disclosed
CN-102617397-A Ortho-formyl aminobenzoyl hydrazide compound, preparation method thereof and application UNIV CHINA AGRICULTURAL 2012-08-01 CN disclosed
US-7713985-B2 Adenosine Aa2 receptor antagonists SCHERING CORPORATION (US) 2010-05-11 US disclosed
US-7713985-B2 Adenosine Aa2 receptor antagonists SCHERING CORPORATION (US) 2010-05-11 US disclosed
EP-2038285-B1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-02-17 EP disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
US-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2008-10-16 US disclosed
US-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2008-10-16 US disclosed
WO-2008002596-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2008-01-03 WO disclosed
US-4845089-A PESTICIDES, AGRICULTURE BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4822810-A 1-aralkyl-5-imino-pyrazole compounds, pesticidal composition and use BAYER AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
EP-0287854-A1 1-Aralkyl pyrazoles BAYER AG (DE) 1988-10-26 EP disclosed
EP-0245785-A2 1-Aralkyl pyrazoles BAYER AG (DE) 1987-11-19 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 (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-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA3, ADORA2A, ADORA1 TAAR1 102/4885IDO1 935/4885HTR2A 86/4885

“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.