SCHEMBL9907393

SCHEMBL9907393

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
ALOX15 P16050 1/20 0.51
TGFBR1 P36897 1/20 0.49
TP53 P04637 2/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 3/20 0.40
CREBBP Q92793 1/20 0.40
DYRK1A Q13627 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NUDT1 P36639 1/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 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
SCHEMBL9907404 0.88 ALOX15 (0.52) HTTALOX15TGFBR1TP53MAPT
SCHEMBL9907368 0.87 ALOX15 (0.50) HTTALOX15TGFBR1TP53MAPT
SCHEMBL9907394 0.87 CSNK2A2 (0.43) HTTTGFBR1ALDH1A1HPGDMEN1
SCHEMBL9909206 0.85 HTT (0.48) HTTALOX15TGFBR1TP53MAPT
SCHEMBL9907466 0.83 ALOX15 (0.47) HTTALOX15TGFBR1TP53MAPT
SCHEMBL9907810 0.81 HTR5A (0.53)
SCHEMBL9907399 0.80 ALOX15 (0.46) HTTALOX15TGFBR1MAPTALDH1A1
SCHEMBL9907339 0.80 ALOX15 (0.49) HTTALOX15TGFBR1TP53MAPT
SCHEMBL9909202 0.80 HTT (0.51) HTTALOX15TGFBR1MAPTALDH1A1
SCHEMBL9907409 0.79 ALOX15 (0.45) HTTALOX15TGFBR1ALDH1A1GAA

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 2 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-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 1101/4885TGFBR1 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.