SCHEMBL9907397

SCHEMBL9907397

COC(=O)c1ccc2ncc(C)c(-c3c(F)cccc3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
HTR5A P47898 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
NR1H2 P55055 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PAX8 Q06710 1/20 0.43
NR1H3 Q13133 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
IL2 P60568 3/20 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
SCHEMBL9907357 0.90 MAPT (0.46) CREBBPKDM4EALDH1A1PKMMAPT
SCHEMBL9907444 0.88 HTR5A (0.47) CREBBPKDM4EALDH1A1PKMMAPT
SCHEMBL9907480 0.87 NR1H2 (0.43) CREBBPKDM4EALDH1A1PKMMAPT
SCHEMBL9907401 0.86 HTR5A (0.46) CREBBPKDM4EALDH1A1PKMHTR5A
SCHEMBL9907443 0.83 PIK3CA (0.53) CREBBPKDM4EMAPTTP53ALOX15
SCHEMBL9907379 0.83 HTR5A (0.43) ALDH1A1MAPTTP53HTR5AHTT
SCHEMBL9907356 0.82 NR1H2 (0.49) CREBBPKDM4EALDH1A1PKMMAPT
SCHEMBL9907396 0.82 HTR5A (0.52) KDM4EMAPTTP53HTR5AALOX15
SCHEMBL9907355 0.82 PAX8 (0.49) CREBBPKDM4EALDH1A1PKMMAPT
SCHEMBL9907441 0.81 HTR5A (0.45) MAPTTP53HTR5AALOX15HTT

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 5 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
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 CREBBP 4316/4885KDM4E 1474/4885ALDH1A1 1799/4885

“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.