SCHEMBL9909145

SCHEMBL9909145

CCOC(=O)c1ccc2nc(C)cc(-c3c(C)cccc3F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.50
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9907520 0.94 HTR5A (0.53) HTR5ATP53MAPTALDH1A1KDM4E
SCHEMBL9907336 0.89 ALDH1A1 (0.50) HTR5ATP53MAPTALDH1A1KDM4E
SCHEMBL9907332 0.85 HTR5A (0.64) HTR5ATP53MAPTALDH1A1KDM4E
SCHEMBL9909237 0.85 HTR5A (0.55) HTR5ATP53MAPTALDH1A1KDM4E
SCHEMBL9907526 0.85 MAPT (0.52) TP53MAPTALDH1A1KDM4EHPGD
SCHEMBL9907649 0.84 HTR5A (0.54) HTR5ATP53MAPTALDH1A1KDM4E
SCHEMBL9907651 0.83 ALDH1A1 (0.52) HTR5AMAPTALDH1A1KDM4EHPGD
SCHEMBL9907525 0.80 ALDH1A1 (0.53) HTR5ATP53MAPTALDH1A1KDM4E
SCHEMBL9907527 0.80 HTR5A (0.59) HTR5ATP53MAPTALDH1A1KDM4E
SCHEMBL24975629 0.79 ALDH1A1 (0.52) TP53MAPTALDH1A1KDM4EHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885TP53 3013/4885MAPT 342/4885

“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.