SCHEMBL9907444

SCHEMBL9907444

COC(=O)c1ccc2ncc(C)c(-c3ccccc3F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.47
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
CREBBP Q92793 1/20 0.42
PAX8 Q06710 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
NR1H2 P55055 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL9907480 0.89 NR1H2 (0.43) HTR5ATP53MAPTALOX15HTT
SCHEMBL9907397 0.88 CREBBP (0.45) HTR5ATP53MAPTALOX15HTT
SCHEMBL9907396 0.87 HTR5A (0.52) HTR5ATP53MAPTALOX15HTT
SCHEMBL9907491 0.87 HTR5A (0.52) HTR5ATP53MAPTALOX15HTT
SCHEMBL9907451 0.87 HTR5A (0.49) HTR5ASMN1; SMN2LMNA
SCHEMBL9907441 0.85 HTR5A (0.45) HTR5ATP53MAPTALOX15HTT
SCHEMBL9907357 0.83 MAPT (0.46) HTR5ATP53MAPTALOX15HTT
SCHEMBL9907356 0.83 NR1H2 (0.49) TP53MAPTALOX15HTTNPC1
SCHEMBL9907380 0.82 NR1H2 (0.49) TP53MAPTALOX15HTTCREBBP
SCHEMBL9907443 0.81 PIK3CA (0.53) TP53MAPTALOX15HTTNPC1

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
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
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 HTR5A 1/4885TP53 3013/4885MAPT 342/4885

“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.