SCHEMBL8272002

SCHEMBL8272002

CC(C(=O)Nc1ccc(N2CCCCOC2=O)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
RECQL P46063 1/20 0.43
HRH4 Q9H3N8 3/20 0.39
IDO1 P14902 2/20 0.39
AKT1 P31749 1/20 0.38
F11 P03951 2/20 0.38
KLKB1 P03952 1/20 0.38
IDH1 O75874 3/20 0.38
F10 P00742 1/20 0.38
CNR2 P34972 1/20 0.37
MLLT1 Q03111 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RPS6KA3 P51812 1/20 0.36

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
SCHEMBL14281195 0.84 F10 (0.45) KDM4ERECQLIDO1AKT1F11
SCHEMBL14281200 0.80 KDM4E (0.50) KDM4ERECQLHRH4IDO1F10
SCHEMBL8272911 0.78 KDM4E (0.48) KDM4ERECQLHRH4IDO1CNR2
SCHEMBL14281186 0.77 F10 (0.55) F10
SCHEMBL8273604 0.75 HRH4 (0.42) KDM4ERECQLHRH4IDO1F10
SCHEMBL8273619 0.74 F10 (0.45) F11F10MEN1KMT2AALDH1A1
SCHEMBL14281194 0.74 KDM4E (0.36) KDM4ERECQLAKT1F11KLKB1
SCHEMBL14307000 0.74 KDM4E (0.36) KDM4ERECQLAKT1F11KLKB1
SCHEMBL8272008 0.73 F10 (0.51) F10
SCHEMBL4918854 0.73 HRH4 (0.52) KDM4ERECQLHRH4F10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
WO-2005121103-A1 BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 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-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT CYP2C19, CYP3A4, CYP2B6 KDM4E 2370/4885RECQL 895/4885HRH4 84/4885

“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.