SCHEMBL9907649

SCHEMBL9907649

CCOC(=O)c1ccc2nc(C)cc(-c3c(F)cc(Cl)cc3F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.54
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL9909237 0.92 HTR5A (0.55) HTR5AALDH1A1L3MBTL1NPC1CYP1A2
SCHEMBL9907332 0.92 HTR5A (0.64) HTR5AALDH1A1L3MBTL1NPC1CYP1A2
SCHEMBL9907520 0.90 HTR5A (0.53) HTR5AALDH1A1L3MBTL1NPC1CYP1A2
SCHEMBL9907336 0.87 ALDH1A1 (0.50) HTR5AALDH1A1L3MBTL1NPC1CYP1A2
SCHEMBL9907652 0.86 HTR5A (0.61) HTR5AALDH1A1L3MBTL1NPC1TP53
SCHEMBL9909145 0.84 HTR5A (0.50) HTR5AALDH1A1L3MBTL1NPC1CYP1A2
SCHEMBL9907526 0.83 MAPT (0.52) ALDH1A1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL9907525 0.82 ALDH1A1 (0.53) HTR5AALDH1A1L3MBTL1NPC1CYP1A2
SCHEMBL9907540 0.81 HTR5A (0.51) HTR5AALDH1A1L3MBTL1NPC1CYP1A2
SCHEMBL16621161 0.80 ALDH1A1 (0.63) ALDH1A1L3MBTL1NPC1CYP1A2CYP2C9

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 3 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

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 1/4885ALDH1A1 1799/4885L3MBTL1 3654/4885

“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.