SCHEMBL9909156

SCHEMBL9909156

COc1cc(C#N)ccc1-c1ccnc2ccc(C(=O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.49
GAK O14976 2/20 0.45
RIPK2 O43353 2/20 0.45
COQ8A Q8NI60 2/20 0.45
NLK Q9UBE8 2/20 0.45
KDM4C Q9H3R0 3/20 0.45
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
EGLN1 Q9GZT9 4/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PDE5A O76074 1/20 0.41
SLC22A12 Q96S37 2/20 0.41
CDK8 P49336 1/20 0.41
LMNA P02545 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
PLA2G4A P47712 1/20 0.39
LTB4R Q15722 1/20 0.39

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
SCHEMBL9909208 0.90 SCN9A (0.51) SCN9AGAKRIPK2COQ8ANLK
SCHEMBL9909299 0.86 SCN9A (0.45) SCN9AGAKRIPK2COQ8ANLK
SCHEMBL12875034 0.82 SCN9A (0.43) SCN9AGAKRIPK2COQ8ANLK
SCHEMBL9909213 0.81 KDM4C (0.46) SCN9AKDM4CCCNT1CDK9LMNA
SCHEMBL9909265 0.81 PDE5A (0.42) SCN9AEGLN1CYP11B1CYP11B2PDE5A
SCHEMBL9909160 0.80 SLC22A12 (0.58) KDM4CSLC22A12KDM5AKDM5B
SCHEMBL16502436 0.80 SLC22A12 (0.47) SCN9AEGLN1CYP11B1CYP11B2SLC22A12
SCHEMBL16509459 0.80 HTT (0.47) SCN9AEGLN1CYP11B1CYP11B2SLC22A12
SCHEMBL9909257 0.78 SLC22A12 (0.42) SCN9AEGLN1CYP11B1CYP11B2SLC22A12
Hydrochloric Acid SCHEMBL18109880 0.76 CA12 (0.53) KDM4CLMNA

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-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
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 SCN9A 412/4885GAK 1532/4885RIPK2 2038/4885

“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.