SCHEMBL9907480

SCHEMBL9907480

COC(=O)c1ccc2ncc(C)c(-c3cccc(F)c3Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 1/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 2/20 0.41
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PAX8 Q06710 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IL2 P60568 2/20 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
SCHEMBL9907380 0.89 NR1H2 (0.49) NR1H2NR1H3ALOX15HTTTP53
SCHEMBL9907444 0.89 HTR5A (0.47) NR1H2NR1H3ALOX15HTTTP53
SCHEMBL9907481 0.88 HTR5A (0.40) CREBBPKDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL9907397 0.87 CREBBP (0.45) NR1H2NR1H3ALOX15HTTTP53
SCHEMBL9907441 0.84 HTR5A (0.45) NR1H2NR1H3ALOX15HTTTP53
SCHEMBL9907843 0.82 HTR5A (0.59) HTR5A
SCHEMBL9907442 0.82 HTR5A (0.48) NR1H2NR1H3ALOX15HTTTP53
SCHEMBL9907466 0.81 ALOX15 (0.47) ALOX15HTTTP53CREBBPKDM4E
SCHEMBL9907491 0.81 HTR5A (0.52) ALOX15HTTTP53MAPTPIK3CD
SCHEMBL9907396 0.81 HTR5A (0.52) ALOX15HTTTP53KDM4EMAPT

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 NR1H2 705/4885NR1H3 911/4885ALOX15 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.