SCHEMBL644723

SCHEMBL644723

N#Cc1c[c]cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
IMPDH2 P12268 3/20 0.41
HTT P42858 1/20 0.40
IMPDH1 P20839 2/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
NCOA3 Q9Y6Q9 1/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL5746939 0.82 CA1 (0.43) CA1CA2IMPDH2HTTIMPDH1
SCHEMBL454594 0.81 CYP2A6 (0.33) CA1CA2ALDH1A1TSHRCYP2A6
SCHEMBL21858039 0.78 GRM5 (0.47) CA1CA2HTTALDH1A1KDM4E
SCHEMBL16288678 0.78 CA1 (0.32) CA1CA2ALDH1A1TSHRCYP2A6
SCHEMBL21858064 0.76 APP (0.44) CA2HTTALDH1A1KDM4EMAPT
SCHEMBL645889 0.75 HTT (0.50) CA1CA2IMPDH2HTTIMPDH1
SCHEMBL59702 0.75 CA1 (0.69) CA1CA2IMPDH2HTTIMPDH1
Hydrochloric Acid SCHEMBL25405344 0.73 CA1 (0.67) CA1CA2IMPDH2HTTIMPDH1
Hydrogen Sulfide SCHEMBL29288363 0.73 CA1 (0.67) CA1CA2IMPDH2HTTIMPDH1
Ammonia Solution, Strong SCHEMBL27660602 0.73 CA1 (0.67) CA1CA2IMPDH2HTTIMPDH1

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-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
EP-4365180-A1 RARE EARTH COMPLEX Tosoh Corporation (JP) 2024-05-08 EP disclosed
EP-3749631-B1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2024-03-06 EP disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
CN-111712481-B triarylmethane compounds 三菱瓦斯化学株式会社 2024-01-16 CN 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-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
EP-0621273-B1 NOVEL SULFONIC ACIDE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-12-09 EP disclosed
US-5496849-A THROMBOXANE A2 RECEPTOR ANTAGONISTS TORAY INDUSTRIES, INC. (JP) 1996-03-05 US disclosed
EP-0621273-A1 NOVEL SULFONIC ACIDE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-10-26 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 (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-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885IMPDH2 4424/4885
US-11760712-B2 Triarylmethane compounds CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885IMPDH2 4424/4885
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885IMPDH2 4424/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI CA1 124/4885CA2 25/4885IMPDH2 812/4885

“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.