SCHEMBL9907368

SCHEMBL9907368

COC(=O)c1ccc2nccc(-c3cccc(Cl)c3F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 2/20 0.48
TGFBR1 P36897 1/20 0.47
KMO O15229 2/20 0.44
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.40
DOT1L Q8TEK3 2/20 0.40
CSNK2A1 P68400 2/20 0.39
MAPK14 Q16539 1/20 0.39
CREBBP Q92793 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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) ALOX15HTTTP53TGFBR1MAPT
SCHEMBL9907393 0.87 HTT (0.51) ALOX15HTTTP53TGFBR1MAPT
SCHEMBL9907466 0.86 ALOX15 (0.47) ALOX15HTTTP53TGFBR1MAPT
SCHEMBL9907359 0.86 TGFBR1 (0.52) ALOX15HTTTP53TGFBR1MAPT
SCHEMBL9907371 0.86 KMO (0.53) HTTKMOALDH1A1DOT1LCSNK2A1
SCHEMBL9907340 0.85 TGFBR1 (0.50) ALOX15HTTTP53TGFBR1ALDH1A1
SCHEMBL9909206 0.84 HTT (0.48) ALOX15HTTTP53TGFBR1MAPT
SCHEMBL7921781 0.83 TP53 (0.46) ALOX15HTTTP53MAPTALDH1A1
SCHEMBL9907350 0.83 HTT (0.45) ALOX15HTTTP53TGFBR1MAPT
SCHEMBL9907367 0.83 HTT (0.45) ALOX15HTTTP53TGFBR1MAPT

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 6 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 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
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 970/4885TP53 3013/4885

“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.