SCHEMBL9907475

SCHEMBL9907475

COC(=O)c1ccc2nccc(-c3cc(F)ccc3Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
TNF P01375 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NR2F2 P24468 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
KLF5 Q13887 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TGFBR1 P36897 1/20 0.41
MET P08581 1/20 0.41
AXL P30530 1/20 0.41
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL9907350 0.91 HTT (0.45) HTTALOX15KDM4EMAPTMEN1
SCHEMBL9907358 0.88 HTT (0.47) HTTALOX15KDM4EMAPTMEN1
SCHEMBL12874619 0.86 CCNT1 (0.39) AAK1TOP2AIDO1CYP2C9CHRNA1
SCHEMBL9907478 0.85 HTR5A (0.41) HPGDALDH1A1AAK1TOP2AIDO1
SCHEMBL9907367 0.84 HTT (0.45) HTTALOX15KDM4EMAPTMEN1
SCHEMBL9907368 0.83 ALOX15 (0.50) HTTALOX15KDM4EMAPTSMN1; SMN2
SCHEMBL9907369 0.82 HTT (0.46) HTTALOX15KDM4EMAPTMEN1
SCHEMBL9907347 0.82 TGFBR1 (0.46) HTTALOX15KDM4EMAPTMEN1
SCHEMBL9907474 0.82 MAPK14 (0.41) KDM4EMAP2K4TOP2ACCNT1CDK9
SCHEMBL9907349 0.81 HTT (0.45) HTTALOX15KDM4EMAPTMEN1

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 4 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

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 HTT 970/4885ALOX15 1101/4885KDM4E 1474/4885

“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.