SCHEMBL644339

SCHEMBL644339

N#Cc1cccc2[c]cccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PNMT P11086 1/20 0.36
IMPDH2 P12268 3/20 0.35
IMPDH1 P20839 2/20 0.35
TSHR P16473 1/20 0.34
DYRK1A Q13627 3/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
AR P10275 1/20 0.33
SLC9A1 P19634 1/20 0.32
LMNA P02545 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
SCHEMBL250481 0.86 IMPDH2 (0.40) CA1CA2HTTKDM4EALDH1A1
SCHEMBL28731531 0.80 FABP7 (0.32)
SCHEMBL7306217 0.77 AR (0.36) CA1CA2KDM4EALDH1A1GAA
SCHEMBL21858034 0.77 CHAT (0.50) CA1CA2HTTKDM4EALDH1A1
SCHEMBL5746900 0.77 HTT (0.40) CA1CA2HTTKDM4EALDH1A1
SCHEMBL5751561 0.77 HTT (0.40) CA1CA2HTTKDM4EALDH1A1
SCHEMBL21858110 0.76 CHAT (0.45) CA2HTTKDM4EALDH1A1MAPT
SCHEMBL29489124 0.75 CA1 (0.54) CA1CA2HTTKDM4EALDH1A1
SCHEMBL45954 0.75 CA1 (0.54) CA1CA2HTTKDM4EALDH1A1
SCHEMBL7299420 0.72 CA1 (0.40) CA1CA2HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749631-B1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2024-03-06 EP claimed
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 US claimed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 US claimed
US-4125619-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1978-11-14 US claimed
US-4049645-A ANTITHROMBOTIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-09-20 US claimed
EP-3749631-B1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2024-03-06 EP disclosed
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 US disclosed
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 CN disclosed
US-11760712-B2 Triarylmethane compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-19 US disclosed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 US disclosed
US-11072573-B2 Binaphthyl compounds REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-07-27 US disclosed
EP-3749631-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-16 EP disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-20050004227-A1 Cell growth inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-06 US disclosed
EP-1437142-A1 CELL GROWTH INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-07-14 EP disclosed
EP-0733626-B1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GMBH (DE) 1999-01-13 EP disclosed
US-5726194-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 US disclosed
EP-0733626-A1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GmbH (DE) 1996-09-25 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 (6 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-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885HTT 574/4885
US-20050004227-A1 Cell growth inhibitor METAP1, SLC7A1, SLC75A1 CA1 1006/4885CA2 837/4885HTT 4364/4885
US-11760712-B2 Triarylmethane compounds CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885HTT 574/4885
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885HTT 574/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 CA1 1810/4885CA2 756/4885HTT 799/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S CA1 2130/4885CA2 1813/4885HTT 1022/4885

“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.