SCHEMBL9914879

SCHEMBL9914879

Cc1ccc(-c2nc3ccccc3n2CCCl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.65
KDM4E B2RXH2 10/20 0.63
NPSR1 Q6W5P4 4/20 0.63
HTT P42858 4/20 0.60
LMNA P02545 3/20 0.60
HPGD P15428 4/20 0.57
ALDH1A1 P00352 9/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
PDE6D O43924 1/20 0.55
ALDH2 P05091 1/20 0.55
ALDH3A1 P30838 1/20 0.55
CNR2 P34972 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CASR P41180 1/20 0.53
HSD17B10 Q99714 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL19275979 0.86 KDM4E (0.74) TP53KDM4ENPSR1HTTLMNA
SCHEMBL29056558 0.85 JAK2 (0.64) TP53KDM4ENPSR1HTTLMNA
SCHEMBL28903093 0.84 TP53 (0.68) TP53KDM4ENPSR1HTTLMNA
SCHEMBL28008997 0.84 TP53 (0.69) TP53KDM4ENPSR1HTTLMNA
SCHEMBL29411938 0.84 TP53 (0.68) TP53KDM4ENPSR1HTTLMNA
SCHEMBL5581775 0.83 TP53 (0.91) TP53KDM4ENPSR1HTTLMNA
SCHEMBL19275978 0.83 KDM4E (0.77) TP53KDM4ENPSR1HTTLMNA
SCHEMBL29056693 0.82 KDM4E (0.60) TP53KDM4ENPSR1HTTLMNA
SCHEMBL29411970 0.82 TP53 (0.89) TP53KDM4ENPSR1HTTLMNA
SCHEMBL11201469 0.80 ALDH1A1 (0.65) TP53KDM4ENPSR1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US 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-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 TP53 4258/4885KDM4E 220/4885NPSR1 265/4885

“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.