SCHEMBL3383809

SCHEMBL3383809

O=C(O)c1n[nH]cc1-c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.41
PIN1 Q13526 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
HNF4A P41235 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCAT2 O15382 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 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
SCHEMBL948199 0.91 KDM4E (0.50) KDM4ELMNAATMPIN1CYP1A2
SCHEMBL15510700 0.83 KDM4E (0.40) KDM4ELMNAPIN1CYP1A2MAPK1
SCHEMBL16209016 0.83 KDM4E (0.36) KDM4ELMNACYP2C19L3MBTL1ALDH1A1
SCHEMBL15758835 0.81 HPGD (0.41) KDM4ELMNAPIN1ALDH1A1SMN1; SMN2
SCHEMBL8297950 0.79 MEN1 (0.46) KDM4ELMNACYP2C19TDP1L3MBTL1
SCHEMBL15241301 0.78 CAMKK2 (0.43) L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL27450739 0.78 MEN1 (0.44) KDM4ELMNACYP2C19TDP1L3MBTL1
SCHEMBL27508282 0.77 TPMT (0.43) KDM4ELMNAPIN1MAPK1TDP1
SCHEMBL954343 0.77 BCAT2 (0.47) KDM4ELMNACYP1A2MAPK1CYP2C19
SCHEMBL949150 0.77 CCNC (0.41) KDM4ELMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP disclosed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 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-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA KDM4E 3271/4885LMNA 3251/4885ATM 4381/4885

“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.