SCHEMBL9907495

SCHEMBL9907495

Cc1ccc(-c2ccnc3c(C)cc(C(=O)O)cc23)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.41
LIMK1 P53667 2/20 0.40
PTGS1 P23219 2/20 0.40
CYP2C9 P11712 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4C Q9H3R0 3/20 0.38
KDM5B Q9UGL1 2/20 0.38
LIMK2 P53671 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
MAPK1 P28482 1/20 0.37
MAP2K4 P45985 1/20 0.37
MAPKAPK3 Q16644 1/20 0.37
MAPK6 Q16659 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
SCHEMBL9907459 0.90 KDM4C (0.45) KDM4CKDM5BRARARARBRARG
SCHEMBL9907428 0.88 MAPK14 (0.43) KDM4CKDM5BKDM4AKDM5A
SCHEMBL9907493 0.87 CYP46A1 (0.39) PTGDR2LIMK1PTGS1CYP2C9SLC6A4
SCHEMBL9909228 0.86 KDM5A (0.43) PTGDR2KDM4CKDM5BKDM5AMAPK1
SCHEMBL9907492 0.85 PTGDR2 (0.42) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL9907852 0.84 HTR5A (0.41) PTGDR2LIMK1CDC7CCNE1CDK2
SCHEMBL9907512 0.84 KDM4C (0.47) PTGDR2PTGS1KDM4CKDM5BKDM4A
SCHEMBL9907452 0.81 CTSA (0.42) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL9907464 0.81 PTGDR2 (0.46) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL9907490 0.81 KMO (0.48) PTGDR2PTGS1KDM4CKDM5BKDM5A

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 PTGDR2 977/4885LIMK1 3702/4885PTGS1 2248/4885

“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.