SCHEMBL1995565

SCHEMBL1995565

O=[N+]([O-])c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GPR35 Q9HC97 2/20 0.45
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S100A4 P26447 1/20 0.40
HSD17B10 Q99714 1/20 0.39
AR P10275 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
PARP1 P09874 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
P2RX1 P51575 1/20 0.38
MEN1 O00255 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
SCHEMBL1999849 0.82 ALDH1A1 (0.50) TDP1ALDH1A1GPR35TSHRSMN1; SMN2
SCHEMBL30627320 0.82 ALDH1A1 (0.50) TDP1ALDH1A1GPR35TSHRSMN1; SMN2
SCHEMBL1459395 0.81 TSHR (0.53) TDP1ALDH1A1GPR35TSHRSMN1; SMN2
SCHEMBL29805067 0.81 TDP1 (0.47) TDP1ALDH1A1GPR35TSHRSMN1; SMN2
SCHEMBL6515 0.81 TDP1 (0.47) TDP1ALDH1A1GPR35TSHRSMN1; SMN2
SCHEMBL9694041 0.81 TDP1 (0.47) TDP1ALDH1A1GPR35TSHRSMN1; SMN2
SCHEMBL9905068 0.79 TDP1 (0.45) TDP1ALDH1A1GPR35TSHRSMN1; SMN2
SCHEMBL10338398 0.79 TSHR (0.58) TDP1ALDH1A1GPR35TSHRSMN1; SMN2
SCHEMBL4728834 0.79 HPGD (0.46) TDP1ALDH1A1GPR35TSHRSMN1; SMN2
SCHEMBL7775267 0.79 ALDH1A1 (0.46) TDP1ALDH1A1GPR35TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
EP-2338935-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS CO LTD (JP) 2012-12-12 EP disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-20110172336-A1 FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS ASAHI GLASS COMPANY, LIMITED (JP) 2011-07-14 US disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 EP disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed
US-5922906-A NOVEL AROMATIC NITRO GROUP DISPLACEMENT TO GENERATE A KEY INTERMEDIATE IN THE SYNTHESIS OF THE 2,4-BIS(TRIFLOUROMETHYL)PHENYLACETIC ACID SIDE CHAIN OF A CLASS III ANTIARRHYTHMIC AGENT MERCK & COMPANY, INC. (US) 1999-07-13 US disclosed
US-5817876-A ONE POT; REACTING AN NITROARENE WITH A CARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1998-10-06 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 (5 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 TDP1 1863/4885ALDH1A1 3041/4885GPR35 89/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 TDP1 1863/4885ALDH1A1 3041/4885GPR35 89/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 TDP1 1863/4885ALDH1A1 3041/4885GPR35 89/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 TDP1 1904/4885ALDH1A1 3045/4885GPR35 85/4885
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 TDP1 1668/4885ALDH1A1 2990/4885GPR35 134/4885

“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.