SCHEMBL3333916

SCHEMBL3333916

Cc1cc2nc(-c3ccc(Cl)cc3)[nH]c2cc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 6/20 0.79
HPSE Q9Y251 1/20 0.61
ALDH1A1 P00352 4/20 0.60
HPGD P15428 4/20 0.60
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 2/20 0.60
TP53 P04637 2/20 0.60
HSD17B10 Q99714 2/20 0.60
APP P05067 1/20 0.60
NFKB1 P19838 1/20 0.60
SNCA P37840 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
MCL1 Q07820 1/20 0.60

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
SCHEMBL25722414 0.86 HPSE (0.64) GUSBHPSEALDH1A1MEN1MAPT
SCHEMBL6325549 0.83 ALDH1A1 (0.68) GUSBHPSEALDH1A1HPGDKDM4E
SCHEMBL24075313 0.83 HPSE (0.61) GUSBHPSEALDH1A1HPGDKDM4E
SCHEMBL7393557 0.83 GUSB (0.79) GUSBHPSEGAAMGAMSI
SCHEMBL3337332 0.83 METAP2 (0.62) GUSBHPSEALDH1A1HPGDKDM4E
SCHEMBL28179657 0.83 HPSE (0.60) GUSBHPSEAMY1A
SCHEMBL3339892 0.83 GUSB (0.73) GUSBHPSEALDH1A1HPGDKDM4E
SCHEMBL3337292 0.82 GUSB (0.57) GUSBHPSEALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL10736606 0.82 GUSB (0.77) GUSBHPSEGAAMGAMSI
SCHEMBL24075259 0.81 GUSB (0.76) GUSBHPSEALDH1A1HPGDKDM4E

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 GUSB 2936/4885HPSE 2266/4885ALDH1A1 448/4885

“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.