SCHEMBL3336702

SCHEMBL3336702

Cc1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1C

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 8/20 0.74
GAA P10253 8/20 0.74
SI P14410 8/20 0.74
MGAM2 Q2M2H8 8/20 0.74
PARP1 P09874 1/20 0.55
CBFB Q13951 1/20 0.51
PIN1 Q13526 1/20 0.49
PTGES O14684 1/20 0.48
GUSB P08236 1/20 0.47
NPBWR1 P48145 1/20 0.45
IDO1 P14902 1/20 0.45
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
NPY5R Q15761 1/20 0.44
VSIR Q9H7M9 1/20 0.44
RPS6KA3 P51812 1/20 0.43

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
SCHEMBL6373229 0.82 CBFB (0.63) MGAMGAASIMGAM2PARP1
SCHEMBL3332631 0.80 MGAM (0.74) MGAMGAASIMGAM2PARP1
SCHEMBL4788936 0.77 GAA (0.55) MGAMGAASIMGAM2PIN1
SCHEMBL29056753 0.77 GAA (0.69) MGAMGAASIMGAM2PARP1
SCHEMBL3339892 0.77 GUSB (0.73) MGAMGAASIMGAM2CBFB
SCHEMBL8818524 0.75 MGAM (0.68) MGAMGAASIMGAM2PARP1
SCHEMBL25722407 0.75 RPS6KA3 (0.58) MGAMGAASIMGAM2PARP1
SCHEMBL3336441 0.74 KDM4E (0.59) MGAMGAASIMGAM2PARP1
SCHEMBL6333665 0.73 RPS6KA3 (0.77) MGAMGAASIMGAM2PARP1
SCHEMBL4113640 0.72 PIN1 (0.64) MGAMGAASIMGAM2PARP1

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 MGAM 3218/4885GAA 332/4885SI 993/4885

“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.