SCHEMBL7919040

SCHEMBL7919040

COC(=O)c1ccc2cccc(-c3c(O)cccc3F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
XDH P47989 2/20 0.43
PTPN11 Q06124 1/20 0.43
NQO2 P16083 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
ERN1 O75460 2/20 0.40

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
SCHEMBL16502487 0.92 NPC1 (0.47) LCKNPC1RAB9AKMT2AMEN1
SCHEMBL16502603 0.88 LCK (0.47) LCKNPC1RAB9AKMT2AMEN1
SCHEMBL16502727 0.88 NPC1 (0.44) LCKNPC1RAB9AKMT2AMAPT
SCHEMBL16494928 0.86 MAPK14 (0.46) LCKNPC1RAB9AKMT2AMEN1
SCHEMBL16494683 0.86 MAPT (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL16502604 0.86 LCK (0.45) LCKNPC1RAB9AKMT2AMEN1
SCHEMBL16502672 0.85 NQO2 (0.42) LCKNPC1RAB9AKMT2AMEN1
SCHEMBL16502586 0.85 LCK (0.48) LCKNPC1RAB9AKMT2AMEN1
SCHEMBL16502448 0.85 MAPT (0.43) LCKNPC1RAB9AKMT2AMEN1
SCHEMBL16502418 0.84 TTR (0.48) KMT2AMEN1MAPTCA12CA1

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 LCK 2119/4885NPC1 951/4885RAB9A 530/4885

“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.