SCHEMBL9907379

SCHEMBL9907379

COC(=O)c1ccc2ncc(C)c(-c3c(F)cc(F)cc3Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TNF P01375 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
TP53 P04637 2/20 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 0.92 MAPT (0.46) HTR5AMAPTMEN1ALDH1A1TNF
SCHEMBL9907385 0.88 HTR5A (0.45) HTR5AALDH1A1HPGD
SCHEMBL9907442 0.85 HTR5A (0.48) HTR5AMAPTMEN1TNFLMNA
SCHEMBL9907397 0.83 CREBBP (0.45) HTR5AMAPTALDH1A1LMNAGAA
SCHEMBL9907396 0.82 HTR5A (0.52) HTR5AMAPTMEN1TNFLMNA
SCHEMBL9907805 0.82 HTR5A (0.66) HTR5A
SCHEMBL9907347 0.81 TGFBR1 (0.46) HTR5AMAPTMEN1ALDH1A1TNF
SCHEMBL9907443 0.81 PIK3CA (0.53) MAPTMEN1TNFLMNAGAA
SCHEMBL9907441 0.80 HTR5A (0.45) HTR5AMAPTLMNAHTTSMN1; SMN2
SCHEMBL9907480 0.80 NR1H2 (0.43) HTR5AMAPTALDH1A1HPGDHTT

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 HTR5A 1/4885MAPT 342/4885MEN1 3631/4885

“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.