SCHEMBL7920115

SCHEMBL7920115

COC(=O)c1ccc2cccc(-c3cccc(F)c3C#N)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NQO2 P16083 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLQ O75417 1/20 0.40
ALDH1A1 P00352 4/20 0.40
PLAU P00749 2/20 0.39
LCK P06239 1/20 0.39
IDH1 O75874 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
IL2 P60568 2/20 0.38
HPGD P15428 3/20 0.37
GLA P06280 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL7917291 0.86 TP53 (0.43) NPC1RAB9ANQO2KMT2AMEN1
SCHEMBL7917793 0.86 MAPT (0.41) NPC1RAB9ANQO2KMT2AMEN1
SCHEMBL7913834 0.85 PLA2G2D (0.46) KMT2AMEN1CYP1A2
SCHEMBL16502438 0.85 NPC1 (0.53) NPC1RAB9ANQO2KMT2AALDH1A1
SCHEMBL16502530 0.85 NPC1 (0.47) NPC1RAB9ANQO2KMT2AMEN1
SCHEMBL7915352 0.84 NQO2 (0.41) NPC1RAB9ANQO2ALDH1A1PLAU
SCHEMBL16502550 0.84 PLAU (0.47) NPC1RAB9ANQO2KMT2AMEN1
SCHEMBL16502474 0.84 NPC1 (0.41) NPC1RAB9ANQO2KMT2AALDH1A1
SCHEMBL16502586 0.83 LCK (0.48) NPC1RAB9ANQO2KMT2AMEN1
SCHEMBL16502487 0.82 NPC1 (0.47) NPC1RAB9ANQO2KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A NPC1 951/4885RAB9A 530/4885NQO2 641/4885

“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.