SCHEMBL9105445

SCHEMBL9105445

CCOC(=O)c1ccc2nc(C)c(C)c(-c3c(F)cncc3F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTR5A P47898 1/20 0.52
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.44
PDE2A O00408 1/20 0.43
MAPT P10636 2/20 0.43
ALPL P05186 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCRTR1 O43613 1/20 0.43
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42

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
SCHEMBL9907613 0.90 ALDH1A1 (0.55) ALDH1A1L3MBTL1HTR5AHPGDNPC1
SCHEMBL9907618 0.90 HTR5A (0.55) ALDH1A1L3MBTL1HTR5AHPGDNPC1
SCHEMBL9907606 0.90 HTR5A (0.64) ALDH1A1L3MBTL1HTR5AHPGDNPC1
SCHEMBL9909255 0.87 HTR5A (0.53) ALDH1A1L3MBTL1HTR5AHPGDNPC1
SCHEMBL9907738 0.86 HTR5A (0.58) ALDH1A1L3MBTL1HTR5AHPGDNPC1
SCHEMBL9907605 0.85 ALDH1A1 (0.66) ALDH1A1L3MBTL1HPGDNPC1RAB9A
SCHEMBL9907651 0.84 ALDH1A1 (0.52) ALDH1A1L3MBTL1HTR5AHPGDNPC1
SCHEMBL9907572 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTR5AHPGDNPC1
SCHEMBL9907617 0.83 ALDH1A1 (0.55) ALDH1A1L3MBTL1HTR5AHPGDNPC1
SCHEMBL9907616 0.83 ALDH1A1 (0.55) ALDH1A1L3MBTL1HTR5AHPGDNPC1

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 8 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-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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 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
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 ALDH1A1 1799/4885L3MBTL1 3654/4885HTR5A 1/4885

“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.