SCHEMBL9907388

SCHEMBL9907388

COC(=O)c1ccc2nccc(-c3cc(C(F)(F)F)ccc3F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
TOP2A P11388 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
KDR P35968 3/20 0.41
PDGFRB P09619 1/20 0.41
SCN9A Q15858 2/20 0.41
SCN5A Q14524 1/20 0.41
GAK O14976 2/20 0.40
RIPK2 O43353 2/20 0.40
EPHB6 O15197 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
EPHA1 P21709 1/20 0.40

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
SCHEMBL9909199 0.91 TLR2 (0.44) HTTALOX15TOP2APTGDR2LMNA
SCHEMBL9907390 0.86 PTGDR2 (0.45) TOP2APTGDR2KDRCCNT1CDK9
SCHEMBL9907369 0.85 HTT (0.46) HTTALOX15LMNAKDM4EALDH1A1
SCHEMBL9909187 0.83 HTT (0.46) HTTALOX15TOP2APTGDR2LMNA
SCHEMBL9909221 0.81 AAK1 (0.43) HTTALOX15LMNAKDM4EALDH1A1
SCHEMBL9907807 0.81 HTR5A (0.47) PTGDR2SLC22A12
SCHEMBL9907367 0.80 HTT (0.45) HTTALOX15LMNAKDM4EALDH1A1
SCHEMBL9907349 0.80 HTT (0.45) HTTALOX15LMNAKDM4ETGFBR1
SCHEMBL9907346 0.79 HTT (0.47) HTTALOX15LMNAKDM4EALDH1A1
SCHEMBL9909224 0.79 KIF11 (0.49) HTTALOX15LMNAKDM4EALDH1A1

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 HTT 970/4885ALOX15 1101/4885TOP2A 428/4885

“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.