SCHEMBL3503003

SCHEMBL3503003

COC(=O)c1ccc(Cl)c2ncccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.71
PSMD14 O00487 1/20 0.56
MAP2K1 Q02750 1/20 0.52
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX12 P18054 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.48
SLC40A1 Q9NP59 1/20 0.47
KDM4A O75164 2/20 0.45
KDM4C Q9H3R0 2/20 0.45
KDM6B O15054 1/20 0.45
KDM6A O15550 1/20 0.45
TET3 O43151 1/20 0.45
KDM4B O94953 1/20 0.45
KDM5C P41229 1/20 0.45

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
SCHEMBL19642938 0.88 PSMD14 (0.68) KDM4EPSMD14MAP2K1SLC40A1KDM4A
SCHEMBL30744938 0.83 KDM4E (1.00) KDM4EPSMD14MAP2K1ALOX12KDM4A
SCHEMBL6018142 0.83 KDM4E (0.73) KDM4EPSMD14MAP2K1PDE4APDE4B
SCHEMBL6068105 0.83 KDM4E (1.00) KDM4EPSMD14MAP2K1ALOX12KDM4A
SCHEMBL6068217 0.82 KDM4E (0.68) KDM4EPSMD14MAP2K1PDE4APDE4B
SCHEMBL17113034 0.82 KDM4E (0.71) KDM4EPSMD14MAP2K1PDE4APDE4B
SCHEMBL20952065 0.82 KDM4E (0.77) KDM4EPSMD14MAP2K1PDE4APDE4B
SCHEMBL13709235 0.82 KDM4E (0.71) KDM4EPSMD14MAP2K1PDE4APDE4B
SCHEMBL15758767 0.82 KDM4E (0.71) KDM4EPSMD14MAP2K1PDE4APDE4B
SCHEMBL3899127 0.81 KDM4E (0.68) KDM4EPSMD14TDP1CYP3A4ALOX12

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 5 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
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
CN-101553469-A Carboxylic acid derivatives ASTELLAS PHARMA INC (JP) 2009-10-07 CN 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 KDM4E 2414/4885PSMD14 3040/4885MAP2K1 2123/4885

“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.