SCHEMBL13319042

SCHEMBL13319042

CCSc1nc2cc(F)ccc2n1C1CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPK1 P28482 4/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ HTT P42858 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PKM P14618 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CPT1A P50416 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GLA P06280 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GNRHR P30968 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39

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
SCHEMBL13319040 0.91 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1ALDH1A1HTTKDM4E
SCHEMBL13319301 0.84 CYP3A4 (0.53) SMN1; SMN2MAPK1ALDH1A1HTTKDM4E
SCHEMBL13319305 0.78 CYP3A4 (0.51) SMN1; SMN2MAPK1ALDH1A1HTTKDM4E
SCHEMBL13319460 0.78 CYP3A4 (0.49) SMN1; SMN2MAPK1CYP3A4MAPT
SCHEMBL13319313 0.77 CYP3A4 (0.49) SMN1; SMN2MAPK1CYP3A4MAPT
SCHEMBL13319018 0.76 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1ALDH1A1HTTKDM4E
SCHEMBL13319337 0.76 CYP3A4 (0.50) SMN1; SMN2MAPK1CYP3A4MAPT
SCHEMBL14469157 0.75 CYP3A4 (0.53) SMN1; SMN2MAPK1ALDH1A1HTTKDM4E
SCHEMBL13319282 0.75 CYP3A4 (0.51) SMN1; SMN2MAPK1CYP3A4MAPT
SCHEMBL14258764 0.75 CYP3A4 (0.47) 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 1 patent. 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

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 SMN1; SMN2 1534/4885MAPK1 2152/4885ALDH1A1 612/4885

“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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