SCHEMBL9907416

SCHEMBL9907416

COC(=O)c1cc(C)c2nccc(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
KDM6B O15054 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
DYRK1A Q13627 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL9907413 0.88 KDM4E (0.45) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL31510024 0.87 KDM4E (0.42) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL27185476 0.87 KDM4E (0.42) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907453 0.87 KDM4E (0.42) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907421 0.87 KDM4E (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL16544886 0.87 MAPT (0.43) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907454 0.83 NR1H2 (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907496 0.82 CCR1 (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907468 0.79 PTGDR2 (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907463 0.79 NR1H2 (0.44) KDM4EKDM6BKDM5CKDM4CKDM2A

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4E 1474/4885KDM6B 1843/4885KDM5C 323/4885

“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.