SCHEMBL332641

SCHEMBL332641

Fc1c(Br)cccc1CCl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
IDO1 P14902 2/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
GRM2 Q14416 2/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM1A O60341 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 2/20 0.31
PDPK1 O15530 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
SCHEMBL25292045 0.83 TSHR (0.38) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL30933463 0.79 TAAR1 (0.37) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL376927 0.79 TAAR1 (0.37) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL1363756 0.79 TAAR1 (0.46) TAAR1GABRA1GABRB2IDO1KDM1A
SCHEMBL28668675 0.79 TAAR1 (0.37) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL18611530 0.77 GABRA1 (0.56) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL7606121 0.77 TAAR1 (0.35) TAAR1GABRA1GABRB2IDO1GRM2
Hydrochloric Acid SCHEMBL1363546 0.77 TAAR1 (0.45) TAAR1GABRA1GABRB2IDO1KDM1A
SCHEMBL15351717 0.77 GABRA1 (0.39) TAAR1GABRA1GABRB2IDO1GRM2
SCHEMBL6870887 0.77 IDO1 (0.39) TAAR1GABRA1GABRB2IDO1GRM2

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
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 EP disclosed
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO disclosed
CN-1805930-A Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORP (US) 2006-07-19 CN disclosed
US-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-23 US disclosed
EP-1620397-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
WO-2004094376-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed
US-4331821-A ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 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 (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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 TAAR1 1982/4885GABRA1 2276/4885GABRB2 2827/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 TAAR1 1982/4885GABRA1 2276/4885GABRB2 2827/4885
US-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders MKI67, PCNA, CCNA1 TAAR1 4657/4885GABRA1 3527/4885GABRB2 3292/4885
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 TAAR1 3962/4885GABRA1 2584/4885GABRB2 2072/4885

“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.