SCHEMBL8306573

SCHEMBL8306573

Cc1ccc(-n2cc[nH]c2=O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 3/20 0.47
LCK P06239 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.36
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CMA1 P23946 1/20 0.34
KCNH2 Q12809 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL18447673 0.85 POLB (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12386351 0.81 ESR1 (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8723165 0.75 MGLL (0.41) MAPTHPGDRXFP1TP53CCNA2
SCHEMBL3858469 0.75 CMA1 (0.43) ALDH1A1MAPTHPGDCCNA2CDK2
SCHEMBL3856173 0.73 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2HPGDL3MBTL1
SCHEMBL92865 0.73 NPC1 (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26914371 0.73 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDTP53
SCHEMBL13907450 0.72 MAPT (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8303359 0.72 MAPT (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4666220 0.71 POLB (0.41) ALDH1A1HPGDCCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD ALDH1A1 3204/4885MAPT 4692/4885NPC1 4319/4885

“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.