SCHEMBL324927

SCHEMBL324927

[C-]#[N+]c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38

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
SCHEMBL29957599 1.00 TSHR (0.48) TSHRMAPK1HTR3EHTR3BHTR3A
SCHEMBL26667009 0.78 TSHR (0.48) TSHRMAPK1HTR3EHTR3BHTR3A
SCHEMBL1754079 0.78 HDAC8 (0.42) ALDH1A1GAAMAPTTDP1CA1
Hydrochloric Acid SCHEMBL3983297 0.77 TSHR (0.47) TSHRMAPK1HTR3EHTR3BHTR3A
SCHEMBL29951501 0.77 CES2 (0.41) TSHRMAPK1CES2ALDH1A1IDO1
SCHEMBL7529351 0.75 DHFR (0.34) —
SCHEMBL62723 0.75 TSHR (0.67) TSHRMAPK1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7124316 0.75 TSHR (0.45) TSHRMAPK1HTR3EHTR3BHTR3A
SCHEMBL4156680 0.74 TSHR (0.44) TSHRMAPK1HTR3EHTR3BHTR3A
Benzene SCHEMBL8568955 0.73 TSHR (0.67) TSHRMAPK1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306788-A1 Iridium compounds and devices made therewith E. I. du Pont de Nemours and Company (US) 2011-04-06 — — EP claimed
US-7129518-B2 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-10-31 — — US claimed
US-20040188673-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-09-30 — — US claimed
US-20040108507-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-06-10 — — US claimed
US-20040106007-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds GRUSHIN VLADIMIR (US) 2004-06-03 — — US claimed
US-20040094769-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylprimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-20 — — US claimed
US-20040089867-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-13 — — US claimed
WO-2003063555-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WIHT FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-31 — — WO claimed
US-20020190250-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2002-12-19 — — US claimed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 — — US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 — — US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 — — US disclosed
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 — — EP disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 — — US disclosed
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-10-11 — — US disclosed
US-6252079-B1 CYCLIZATION OF CHEMICAL INTERMEDIATE; REACTING WITH ARYL ISONITRILE UNIVERSITY OF PITTSBURGH 2001-06-26 — — US disclosed
US-6239278-B1 Intermediates in the synthesis of (±)-camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH 2001-05-29 — — US disclosed
US-6211371-B1 REACTING AN ARYL ISONIRILE WITH AN ISOQUINOLIN-1-ONE COMPOUND UNIVERSITY OF PITTSBURGH 2001-04-03 — — US disclosed
US-6034243-A Intermediates in the synthesis of (±)-camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2000-03-07 — — US disclosed
US-5744605-A ANNULATION; CYCLIZATION UNIVERSITY OF PITTSBURGH (US) 1998-04-28 — — 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 (3 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-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 TSHR 2720/4885MAPK1 3165/4885HTR3E 3008/4885
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof CGAS, APEX1, DHPS TSHR 3838/4885MAPK1 2140/4885HTR3E 4474/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 TSHR 2720/4885MAPK1 3165/4885HTR3E 3008/4885

“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.

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