SCHEMBL13319342

SCHEMBL13319342

CCOc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C2CCN(Cc3ccnnc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.47
▸ CYP3A4 P08684 6/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CHRM4 P08173 1/20 0.41

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
SCHEMBL8225254 0.90 CYP3A4 (0.52) CYP3A4
SCHEMBL14469515 0.89 CYP3A4 (0.47) CYP3A4ALDH1A1
SCHEMBL13319344 0.89 USP2 (0.48) USP2CYP3A4SMN1; SMN2PKMALDH1A1
SCHEMBL13319395 0.88 CYP3A4 (0.48) CYP3A4
SCHEMBL14258910 0.88 CYP3A4 (0.46) CYP3A4
SCHEMBL14095152 0.87 USP2 (0.38) USP2CYP3A4SMN1; SMN2PKMALDH1A1
SCHEMBL13319455 0.86 CYP3A4 (0.55) CYP3A4
SCHEMBL13319380 0.86 USP2 (0.46) USP2CYP3A4SMN1; SMN2PKM
SCHEMBL13319364 0.86 CYP3A4 (0.46) USP2CYP3A4SMN1; SMN2PKMMAPT
SCHEMBL14258587 0.84 CYP3A4 (0.51) CYP3A4

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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — US disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — US disclosed
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — 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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK USP2 4783/4885CYP3A4 339/4885SMN1; SMN2 1534/4885

“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.

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