SCHEMBL9907491

SCHEMBL9907491

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.52
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
MAPK14 Q16539 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 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
SCHEMBL9907565 0.90 TP53 (0.47) HTR5ATP53MAPTLMNASMN1; SMN2
SCHEMBL9103249 0.88 HTR5A (0.67) HTR5AMAPTLMNASMN1; SMN2HTT
SCHEMBL9907444 0.87 HTR5A (0.47) HTR5ANPC1RAB9ATP53MAPT
SCHEMBL9907580 0.87 HTR5A (0.50) HTR5ARAB9ATP53MAPTALOX15
SCHEMBL9907595 0.87 HTR5A (0.55) HTR5ANPC1RAB9ATP53MAPT
SCHEMBL9907494 0.86 HTR5A (0.55) HTR5ALMNASMN1; SMN2
SCHEMBL9909256 0.86 HTR5A (0.54) HTR5ATP53ALOX15HTT
SCHEMBL9907581 0.85 ALOX15 (0.49) HTR5ATP53MAPTSMN1; SMN2ALOX15
SCHEMBL9907499 0.83 PLA2G2A (0.48) TP53MAPTSMN1; SMN2ALOX15HTT
SCHEMBL9925448 0.83 HTR5A (0.52) HTR5ATP53PIK3CAMTOR

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 6 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP 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 1/4885NPC1 753/4885RAB9A 293/4885

“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.