SCHEMBL7655142

SCHEMBL7655142

N#Cc1ccc2[nH]c(C(F)(F)F)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DGAT1 O75907 1/20 0.44
SOAT1 P35610 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CFB P00751 9/20 0.43
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
PIN1 Q13526 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL14669397 0.89 DGAT1 (0.54) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL7655150 0.87 ALDH1A1 (0.58) NPSR1KDM4EMAPTHPGDALDH1A1
SCHEMBL13677328 0.84 CSNK1D (0.46) ALDH1A1SMN1; SMN2CFBIMPDH2IMPDH1
SCHEMBL15625905 0.84 MAPK10 (0.44) CFBIMPDH2IMPDH1PIN1
SCHEMBL29935405 0.77 KDM4E (0.54) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL5681855 0.76 NPSR1 (0.59) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL4387879 0.76 IMPDH2 (0.46) IMPDH2IMPDH1PIN1
SCHEMBL7018825 0.76 TRPA1 (0.53) NPSR1KDM4EMAPTHPGDPOLB
Lithium SCHEMBL31238632 0.75 KDM4E (0.53) NPSR1KDM4EMAPTHPGDPOLB
Lithium Ion SCHEMBL29942256 0.75 KDM4E (0.53) NPSR1KDM4EMAPTHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9742034-B2 Cyano-benzimidazole salts for electrochemical cells and method for synthesis thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2017-08-22 US disclosed
US-9742034-B2 Cyano-benzimidazole salts for electrochemical cells and method for synthesis thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2017-08-22 US disclosed
CN-106935908-A Electrolyte additive 黄炳照 2017-07-07 CN disclosed
CN-103896849-B Nitrile-benzimidazole salt and preparation method thereof 陈燿腾 2017-05-24 CN disclosed
CN-103896849-A Novel nitrile-benzimidazole salt and preparation method thereof CHERN YAW-TERNG 2014-07-02 CN disclosed
US-20140178771-A1 CYANO-BENZIMIDAZOLE SALTS FOR ELECTROCHEMICAL CELLS AND METHOD FOR SYNTHESIS THEREOF NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2014-06-26 US disclosed
US-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 WO 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 (1 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-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B NPSR1 4090/4885KDM4E 2275/4885MAPT 3332/4885

“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.