SCHEMBL9909167

SCHEMBL9909167

COc1cc(Cl)ccc1-c1ccnc2c(C)cc(C(=O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.42
CDK9 P50750 3/20 0.42
KDM4C Q9H3R0 5/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM5A P29375 2/20 0.41
SCN9A Q15858 3/20 0.41
TTR P02766 1/20 0.39
CTSA P10619 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
KDM2B Q8NHM5 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL9909226 0.90 CCNT1 (0.44) CCNT1CDK9SCN9AMRGPRX4ALDH1A1
SCHEMBL9907512 0.87 KDM4C (0.47) KDM4CKDM5BKDM5ASCN9AMRGPRX4
SCHEMBL9907459 0.86 KDM4C (0.45) KDM4CKDM5BMRGPRX4KDM4E
SCHEMBL9909301 0.85 SLC9A1 (0.46) CCNT1CDK9SCN9A
SCHEMBL9907490 0.84 KMO (0.48) KDM4CKDM5BKDM5AMRGPRX4PTGDR2
SCHEMBL9909228 0.82 KDM5A (0.43) CCNT1CDK9KDM4CKDM5BKDM5A
SCHEMBL27185293 0.80 CA12 (0.44) KDM4CKDM5BKDM5AKDM4EKDM6B
SCHEMBL9907509 0.79 MRGPRX4 (0.40) KDM4CKDM5BSCN9AMRGPRX4KDM4E
SCHEMBL9907495 0.79 PTGDR2 (0.41) KDM4CKDM5BKDM5AMRGPRX4KDM2B
SCHEMBL9907455 0.78 ALPL (0.44) MRGPRX4

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
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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 CCNT1 3359/4885CDK9 2058/4885KDM4C 1366/4885

“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.