SCHEMBL9907490

SCHEMBL9907490

Cc1cc(C(=O)O)cc2c(-c3ccc(Cl)cc3F)ccnc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.48
KDM4C Q9H3R0 3/20 0.43
KDM5B Q9UGL1 2/20 0.43
GRM2 Q14416 1/20 0.40
KDM5A P29375 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
RORC P51449 3/20 0.38
MAPK14 Q16539 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
PTGS1 P23219 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36

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
SCHEMBL9907512 0.89 KDM4C (0.47) KMOKDM4CKDM5BGRM2KDM5A
SCHEMBL9907492 0.88 PTGDR2 (0.42) KDM4CKDM5BGRM2KDM5AMAPK14
SCHEMBL9907459 0.88 KDM4C (0.45) KDM4CKDM5BMRGPRX4
SCHEMBL9907488 0.87 MAPK14 (0.41) KMOGRM2GSK3AGSK3BRORC
SCHEMBL9907849 0.85 HTR5A (0.45) KMOGRM2
SCHEMBL9909167 0.84 CCNT1 (0.42) KDM4CKDM5BKDM5APTGDR2MRGPRX4
SCHEMBL9907428 0.83 MAPK14 (0.43) KMOKDM4CKDM5BGRM2KDM5A
SCHEMBL9907467 0.82 PTGDR2 (0.39) KMOKDM4CKDM5BKDM5ARORC
SCHEMBL9907476 0.81 TOP2A (0.40) KDM4CKDM5BKDM5ARORCMAPK14
SCHEMBL12874646 0.81 GRM2 (0.36) KMOGRM2GSK3AGSK3BMAPK14

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 6 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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 KMO 559/4885KDM4C 1366/4885KDM5B 167/4885

“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.