SCHEMBL7915360

SCHEMBL7915360

COC(=O)c1ccc2cccc(-c3cc(F)ccc3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
PARP1 P09874 1/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
NQO2 P16083 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
TNF P01375 1/20 0.42
NR2F2 P24468 1/20 0.42
MCL1 Q07820 1/20 0.42
KLF5 Q13887 1/20 0.42
NOD1 Q9Y239 1/20 0.42
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL16502486 0.90 MAPK14 (0.45) NPC1RAB9APARP1KMT2AMAPT
SCHEMBL7911019 0.89 PLAU (0.47) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL16502438 0.88 NPC1 (0.53) NPC1RAB9AKMT2AMAPTNQO2
SCHEMBL7916556 0.88 ALDH1A1 (0.42) NPC1RAB9APARP1KMT2AMAPT
SCHEMBL16502494 0.88 MTNR1A (0.45) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL7921779 0.88 NR3C1 (0.46) NPC1RAB9APARP1KMT2AMAPT
SCHEMBL16502566 0.87 NQO2 (0.44) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL16502530 0.85 NPC1 (0.47) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL16502424 0.85 CCNT1 (0.42) NPC1RAB9APARP1KMT2AMAPT
SCHEMBL16502524 0.85 MAPK14 (0.42) NPC1RAB9APARP1KMT2AMAPT

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 4 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
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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 530/4885PARP1 1371/4885

“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.