SCHEMBL14770733

SCHEMBL14770733

COc1ccc(C(C)c2nc3cc(F)ccc3[nH]2)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
NTSR1 P30989 4/20 0.37
DRD4 P21917 1/20 0.36
CDK9 P50750 2/20 0.36
CDK1 P06493 1/20 0.36
CCNT1 O60563 1/20 0.36
HTR1A P08908 2/20 0.35
TACR1 P25103 1/20 0.35
BRD4 O60885 1/20 0.35
AMY1A P0DUB6 1/20 0.34
HTR6 P50406 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL14770504 0.84 BRD4 (0.42) BRD4AMY1A
SCHEMBL14770682 0.82 AMY1A (0.41) IDO1BRD4AMY1A
SCHEMBL14770503 0.82 AMY1A (0.42) BRD4AMY1AHTR2C
SCHEMBL12065257 0.79 MLKL (0.39) IDO1BRD4
SCHEMBL14770492 0.78 AMY1A (0.41) AMY1A
SCHEMBL14770501 0.74 MLKL (0.46) IDO1BRD4
SCHEMBL14770723 0.74 MLKL (0.45) BRD4AMY1A
SCHEMBL29212574 0.73 KDM4E (0.51)
SCHEMBL14770488 0.72 BRD4 (0.43) BRD4AMY1A
SCHEMBL21231846 0.71 SLC6A2 (0.54) HTR1AHTR2CHTR2B

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-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A IDO1 1108/4885NTSR1 424/4885DRD4 1060/4885

“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.