SCHEMBL9907506

SCHEMBL9907506

COC(=O)c1ccc2ncc(Cl)c(C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
PAX8 Q06710 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 4/20 0.47
CSNK2A1 P68400 1/20 0.47
CREBBP Q92793 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.45
GAA P10253 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL9103244 0.88 HTT (0.48) TP53PAX8ALOX15HTTMAPT
SCHEMBL9102374 0.87 HTT (0.47) TP53PAX8ALOX15HTTMAPT
SCHEMBL9907355 0.87 PAX8 (0.49) TP53PAX8ALOX15HTTMAPT
SCHEMBL9103154 0.86 HTT (0.46) TP53PAX8ALOX15HTTMAPT
SCHEMBL9907508 0.85 TDP1 (0.46) TP53PAX8HTTMAPTCREBBP
SCHEMBL9907564 0.83 TDP1 (0.45) TP53PAX8ALOX15HTTMAPT
SCHEMBL9907499 0.81 PLA2G2A (0.48) TP53PAX8ALOX15HTTMAPT
SCHEMBL9907600 0.81 HTR5A (0.45) TP53PAX8ALOX15HTTMAPT
SCHEMBL9907595 0.81 HTR5A (0.55) TP53PAX8ALOX15HTTMAPT
SCHEMBL1299987 0.81 ALOX15 (0.56) TP53PAX8ALOX15HTTCSNK2A1

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 TP53 3013/4885PAX8 4597/4885ALOX15 1101/4885

“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.