SCHEMBL9907653

SCHEMBL9907653

CCOC(=O)c1ccc2nc(C)c(F)c(-c3ccccc3F)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 2/20 0.47
PDE2A O00408 3/20 0.47
PDE10A Q9Y233 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HCRTR1 O43613 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 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
SCHEMBL9907572 0.91 ALDH1A1 (0.53) ALDH1A1L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL9907548 0.89 ALDH1A1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL9907643 0.89 ALDH1A1 (0.55) ALDH1A1L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL9907655 0.86 LMNA (0.54) ALDH1A1L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL9907641 0.83 ALDH1A1 (0.62) ALDH1A1L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL9907526 0.82 MAPT (0.52) ALDH1A1L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL9907613 0.82 ALDH1A1 (0.55) ALDH1A1L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL9907906 0.79 HTR5A (0.64) SMN1; SMN2LMNA
SCHEMBL9907651 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL9907560 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1SMN1; SMN2HPGDKDM4E

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 5 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
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 ALDH1A1 1799/4885L3MBTL1 3654/4885SMN1; SMN2 3684/4885

“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.