SCHEMBL13089648

SCHEMBL13089648

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)NC)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.40
PTGER4 P35408 5/20 0.40
BCHE P06276 3/20 0.39
CNR2 P34972 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HDAC6 Q9UBN7 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PABPC1 P11940 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3067526 0.93 MEN1 (0.38) BCHECNR2MEN1KMT2AHDAC6
SCHEMBL13010691 0.92 MEN1 (0.40) BCHECNR2MEN1KMT2AHDAC6
SCHEMBL3065708 0.91 CNR2 (0.40) BCHECNR2MEN1KMT2AKDM4E
SCHEMBL3054960 0.88 PTGER4 (0.39) PTGER4BCHECNR2MEN1KMT2A
SCHEMBL3547609 0.86 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3060368 0.83 KMT2A (0.44) CNR2MEN1KMT2AHDAC6KDM4E
SCHEMBL3070367 0.83 ACSS2 (0.42) CNR2MEN1KMT2AKDM4EGAA
SCHEMBL3050434 0.81 ACSS2 (0.42) MEN1KMT2ARAB9ABRD4
SCHEMBL5627613 0.81 TP53 (0.37) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3054940 0.81 PDK2 (0.37) CNR2KMT2ATHRBNPC1RAB9A

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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 MAPK10 4578/4885PTGER4 1205/4885BCHE 1010/4885

“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.