SCHEMBL839645

SCHEMBL839645

c1ccc2c(c1)nc1n2CCN1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 3/20 0.61
HSD17B10 Q99714 3/20 0.61
HPGD P15428 2/20 0.61
POLB P06746 2/20 0.50
MAPK10 P53779 1/20 0.49
ATM Q13315 1/20 0.45
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
PARP1 P09874 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL31249024 1.00 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL10372730 0.90 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL32688151 0.89 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL840080 0.89 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL840079 0.88 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDPOLB
Hydrochloric Acid SCHEMBL3851196 0.88 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL13057973 0.86 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL10373208 0.85 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL32688153 0.77 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL10255758 0.76 PARP1 (0.53) KDM4EALDH1A1HSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201206-A1 METHODS FOR KILLING ANTIBIOTIC TOLERANT BACTERIA THE PENN STATE RESEARCH FOUNDATION 2023-06-29 US claimed
EP-1437122-B1 Composition for dyeing keratinic fibers comprising diheteroarylmethane direct dye and dyeing process using this composition OREAL (FR) 2010-03-03 EP claimed
US-7217297-B2 Composition for dyeing keratin fibers comprising a defined diheteroylarylmethane direct dye or a leuco precursor of this dye and dyeing method using it L'OREAL S.A. (FR) 2007-05-15 US claimed
US-20040187229-A1 Composition for dyeing keratin fibers comprising a defined diheteroylarylmethane direct dye or a leuco precursor of this dye and dyeing method using it L'OREAL S.A. (FR) 2004-09-30 US claimed
EP-1437122-A1 Composition for dyeing keratinic fibers comprising a diheteroarylmethane direct dye or its lecuco precursor and dyeing process using this composition L'OREAL (FR) 2004-07-14 EP claimed
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-10-20 US disclosed
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-10-20 US disclosed
EP-3080121-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
EP-3080121-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 US disclosed
US-7217297-B2 Composition for dyeing keratin fibers comprising a defined diheteroylarylmethane direct dye or a leuco precursor of this dye and dyeing method using it L'OREAL S.A. (FR) 2007-05-15 US disclosed
US-20040187229-A1 Composition for dyeing keratin fibers comprising a defined diheteroylarylmethane direct dye or a leuco precursor of this dye and dyeing method using it L'OREAL S.A. (FR) 2004-09-30 US disclosed
EP-1437122-A1 Composition for dyeing keratinic fibers comprising a diheteroarylmethane direct dye or its lecuco precursor and dyeing process using this composition L'OREAL (FR) 2004-07-14 EP disclosed
EP-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP disclosed
US-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed
US-5623073-A ANTIDIABETIC AGENT ADIR ET COMPAGNIE (FR) 1997-04-22 US disclosed
EP-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 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-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 KDM4E 4047/4885ALDH1A1 205/4885HSD17B10 3973/4885
US-20040187229-A1 Composition for dyeing keratin fibers comprising a defined diheteroylarylmethane direct dye or a leuco precursor of this dye and dyeing method using it KRT18, KMO, DLD KDM4E 819/4885ALDH1A1 1560/4885HSD17B10 195/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS KDM4E 1797/4885ALDH1A1 484/4885HSD17B10 1941/4885
US-20230201206-A1 METHODS FOR KILLING ANTIBIOTIC TOLERANT BACTERIA CLPP, SPOUT1, CASP3 KDM4E 3031/4885ALDH1A1 942/4885HSD17B10 1715/4885

“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.