SCHEMBL8303359

SCHEMBL8303359

Cc1ccc(-n2ccoc2=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
LCK P06239 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 2/20 0.37
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8303637 0.77 ELANE (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL92865 0.75 NPC1 (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13907450 0.73 MAPT (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8306573 0.72 ALDH1A1 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8306571 0.72 MAP3K5 (0.39) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL8262170 0.71 CYP3A4 (0.45) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14490573 0.70 ELANE (0.43) FFAR4KCNH2CYP3A4HDAC1HDAC6
SCHEMBL8306976 0.68 NPSR1 (0.46) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL9040686 0.68 ALDH1A1 (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9042460 0.67 MAPT (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 MAPT 4692/4885ALDH1A1 3204/4885NPC1 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.