SCHEMBL2071948

SCHEMBL2071948

COc1ccc2c([c]c(C)n2Cc2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.54
GABRA5 P31644 2/20 0.54
KDM4E B2RXH2 2/20 0.46
GFER P55789 1/20 0.46
TNIK Q9UKE5 1/20 0.44
BRD4 O60885 1/20 0.43
SRC P12931 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8360274 0.85 ALDH1A1 (0.52) ALDH1A1MAPTPOLBHTTKMT2A
SCHEMBL4541878 0.82 ALDH1A1 (0.53) KDM4EGFERALDH1A1MAPTPOLB
SCHEMBL4375652 0.79 ALDH1A1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL16818972 0.78 GABRA1 (0.56) GABRA1GABRA5KDM4EGFERTNIK
SCHEMBL27789954 0.75 CCR2 (0.52) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL8356890 0.73 PLA2G2A (0.52) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL4378623 0.73 PLA2G2A (0.52) BRD4MAPTPOLBMEN1KMT2A
SCHEMBL17934152 0.72 ALDH1A1 (0.56) GABRA1GABRA5KDM4EGFERTNIK
SCHEMBL3088631 0.71 P2RX4 (0.54) GABRA5KDM4EALDH1A1MAPTPOLB
SCHEMBL8646433 0.71 GABRA1 (0.52) GABRA1GABRA5KDM4EGFERSRC

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
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 GABRA1 2328/4885GABRA5 1889/4885KDM4E 757/4885

“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.