SCHEMBL9907466

SCHEMBL9907466

COC(=O)c1ccc2nccc(-c3cccc(F)c3Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
TGFBR1 P36897 1/20 0.44
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK14 Q16539 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
PDK2 Q15119 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
CSNK2A1 P68400 2/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL9907339 0.88 ALOX15 (0.49) ALOX15HTTTGFBR1TP53ALDH1A1
SCHEMBL9907368 0.86 ALOX15 (0.50) ALOX15HTTTGFBR1TP53NPC1
SCHEMBL9907470 0.86 CSNK2A2 (0.41) TP53NPC1RAB9AGPBAR1ALDH1A1
SCHEMBL9907340 0.85 TGFBR1 (0.50) ALOX15HTTTGFBR1TP53NPC1
SCHEMBL9907369 0.84 HTT (0.46) ALOX15HTTTGFBR1ALDH1A1MAPT
SCHEMBL9907349 0.83 HTT (0.45) ALOX15HTTTGFBR1MAPTKDM4E
SCHEMBL9907367 0.83 HTT (0.45) ALOX15HTTTGFBR1TP53ALDH1A1
SCHEMBL9907393 0.83 HTT (0.51) ALOX15HTTTGFBR1TP53NPC1
SCHEMBL9907346 0.82 HTT (0.47) ALOX15HTTTGFBR1TP53ALDH1A1
SCHEMBL9907465 0.82 PDK2 (0.39) NPC1RAB9AMAPK14GPBAR1ALDH1A1

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 ALOX15 1101/4885HTT 970/4885TGFBR1 3632/4885

“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.