SCHEMBL9909237

SCHEMBL9909237

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.55
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALPL P05186 1/20 0.43
GAA P10253 1/20 0.43
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
SCHEMBL9907332 0.93 HTR5A (0.64) HTR5AMAPTTP53ALDH1A1HPGD
SCHEMBL9907649 0.92 HTR5A (0.54) HTR5AMAPTTP53ALDH1A1HPGD
SCHEMBL9907520 0.91 HTR5A (0.53) HTR5AMAPTTP53ALDH1A1HPGD
SCHEMBL9909145 0.85 HTR5A (0.50) HTR5AMAPTTP53ALDH1A1HPGD
SCHEMBL9907526 0.84 MAPT (0.52) MAPTTP53ALDH1A1HPGDKDM4E
SCHEMBL9907336 0.84 ALDH1A1 (0.50) HTR5AMAPTTP53ALDH1A1HPGD
SCHEMBL9907525 0.83 ALDH1A1 (0.53) HTR5AMAPTTP53ALDH1A1HPGD
SCHEMBL9907540 0.82 HTR5A (0.51) HTR5AMAPTTP53ALDH1A1HPGD
SCHEMBL9907618 0.81 HTR5A (0.55) HTR5AMAPTTP53ALDH1A1HPGD
SCHEMBL9907550 0.81 HTR5A (0.67) HTR5AMAPTTP53ALDH1A1HPGD

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 1/4885MAPT 342/4885TP53 3013/4885

“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.