SCHEMBL4454948

SCHEMBL4454948

c1ccc2[nH]c(CNc3ccncc3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.63
KLK5 Q9Y337 1/20 0.63
HSD17B10 Q99714 1/20 0.63
PKM P14618 1/20 0.58
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
POLB P06746 2/20 0.51
DDAH1 O94760 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
ROCK1 Q13464 1/20 0.48
TSHR P16473 3/20 0.48

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
Hydrochloric Acid SCHEMBL10508401 0.98 HSD17B10 (0.61) KLK1KLK5HSD17B10PKMALDH1A1
SCHEMBL10371770 0.89 KLK1 (0.68) KLK1KLK5HSD17B10PKMALDH1A1
SCHEMBL28543736 0.83 NPC1 (0.65) KLK1KLK5HSD17B10PKMALDH1A1
SCHEMBL30619961 0.83 NPC1 (0.65) KLK1KLK5HSD17B10PKMALDH1A1
SCHEMBL10373141 0.82 CYP1A2 (0.52) KLK1KLK5HSD17B10PKMALDH1A1
SCHEMBL10374498 0.80 CYP1A2 (0.43) KLK1KLK5HSD17B10PKMALDH1A1
SCHEMBL1269573 0.80 KLK1 (0.61) KLK1KLK5HSD17B10PKMALDH1A1
Hydrochloric Acid SCHEMBL710492 0.78 PKM (0.67) KLK1KLK5HSD17B10PKMNPC1
SCHEMBL711507 0.78 PKM (0.71) KLK1KLK5HSD17B10PKMNPC1
SCHEMBL31734838 0.78 PKM (0.71) KLK1KLK5HSD17B10PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252507-B1 2-(4-PYRIDYLAMINOMETHYL)-BENZIMIDAZOLE DERIVATIVES HAVING ANTIVIRAL ACTIVITY Maruishi Seiyaku Kabushiki Kaisha (JP) 1990-10-10 EP claimed
EP-0209106-B1 2-(4-PYRIDYLAMINOMETHYL)-BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS Maruishi Seiyaku Kabushiki Kaisha (JP) 1989-10-18 EP claimed
EP-0252507-A1 2-(4-Pyridylaminomethyl)-benzimidazole derivatives having antiviral activity Maruishi Seiyaku Kabushiki Kaisha (JP) 1988-01-13 EP claimed
US-4714764-A ENTEROVIRUS AND RHINOVIRUS MARUISHI SEIYAKU KABUSHIKI KAISHA (JP) 1987-12-22 US claimed
EP-0209106-A1 2-(4-Pyridylaminomethyl)-benzimidazole derivatives and pharmaceutical compositions Maruishi Seiyaku Kabushiki Kaisha (JP) 1987-01-21 EP claimed
JP-63179870-A None JP disclosed
JP-62016477-A None JP disclosed
JP-63022091-A None JP disclosed
US-8231879-B2 Treatment of diseases caused by viral infection NIKLASSON BO (SE) 2012-07-31 US disclosed
US-20090004143-A1 TREATMENT OF DISEASES CAUSED BY VIRAL INFECTION NIKLASSON BO 2009-01-01 US disclosed
US-7442380-B2 Administering pleconaril (3-[3,5-dimethyl-4-[[3-(3-methyl-5-isoxazolyl)propyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole) to human or mammal having diabetes mellitus associated with ljungan virus APODEMUS AB (SE) 2008-10-28 US disclosed
EP-1596859-B1 TREATMENT OF DISEASES CAUSED BY LJUNGAN VIRUS BY USING PLECONARIL APODEMUS AB (SE) 2008-07-02 EP disclosed
US-4714764-A ENTEROVIRUS AND RHINOVIRUS MARUISHI SEIYAKU KABUSHIKI KAISHA (JP) 1987-12-22 US disclosed
US-4714764-A ENTEROVIRUS AND RHINOVIRUS MARUISHI SEIYAKU KABUSHIKI KAISHA (JP) 1987-12-22 US disclosed
US-4714764-A ENTEROVIRUS AND RHINOVIRUS MARUISHI SEIYAKU KABUSHIKI KAISHA (JP) 1987-12-22 US disclosed
JP-S6216477-A 2-(4-PYRIDYLAMINOMETHYL)-BENZIMIDAZOLE DERIVATIVE HAVING ANTIVIRAL ACTIVITY MARUISHI SEIYAKU KK 1987-01-24 JP disclosed
EP-0209106-A1 2-(4-Pyridylaminomethyl)-benzimidazole derivatives and pharmaceutical compositions Maruishi Seiyaku Kabushiki Kaisha (JP) 1987-01-21 EP disclosed
EP-0209106-A1 2-(4-Pyridylaminomethyl)-benzimidazole derivatives and pharmaceutical compositions Maruishi Seiyaku Kabushiki Kaisha (JP) 1987-01-21 EP disclosed
JP-S06216477-A 0001-01-01 JP disclosed
JP-S06322091-A 0001-01-01 JP 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-20090004143-A1 TREATMENT OF DISEASES CAUSED BY VIRAL INFECTION PGF, IFNG, MYOF KLK1 2278/4885KLK5 2166/4885HSD17B10 4080/4885

“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.