SCHEMBL3500046

SCHEMBL3500046

COC(=O)c1ccc2c(c1C)NCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.40
PARP1 P09874 1/20 0.39
PTGER4 P35408 1/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 4/20 0.36
GLA P06280 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPT P10636 3/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35

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
SCHEMBL23949479 0.83 KDM4E (0.43) SRCPARP1KDM4EPRMT5WDR77
SCHEMBL13858222 0.81 PARP1 (0.39) SRCPARP1GAAKDM4EGLA
SCHEMBL3630293 0.81 SRC (0.50) SRCPARP1KDM4EMAPTATM
SCHEMBL3500989 0.78 PARP1 (0.44) PARP1GAAKDM4EGLAMAPT
SCHEMBL20904544 0.75 SRC (0.39) SRCPARP1GAAKDM4EGLA
SCHEMBL6419926 0.75 KDM4E (0.45) PTGER4GAAKDM4EGLAMAPT
SCHEMBL9177566 0.73 PARP1 (0.39) SRCPARP1GAAKDM4EMAPT
SCHEMBL9181279 0.72 GAA (0.39) PARP1GAAKDM4EGLAMAPT
SCHEMBL15814207 0.72 PARP1 (0.41) PARP1PTGER4GAAKDM4EGLA
SCHEMBL5328082 0.72 PARP1 (0.53) PARP1GAAKDM4EGLA

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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 SRC 3054/4885PARP1 4730/4885PTGER4 1432/4885

“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.