SCHEMBL7124864

SCHEMBL7124864

N#Cc1cccc(OCCN2C(=O)c3ccc(Br)cc3C2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TBXAS1 P24557 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 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
SCHEMBL233713 0.79 RAB9A (1.00) RAB9AKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL11920128 0.78 RAB9A (0.63) RAB9AKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL7118364 0.75 RAB9A (0.47) RAB9AKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL3922051 0.74 HPGD (0.70) RAB9AKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL3591703 0.74 HPGD (0.74) RAB9AKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL31000977 0.74 HPGD (0.74) RAB9AKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL4235445 0.72 RAB9A (0.86) RAB9AKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL1578469 0.70 RAB9A (0.83) RAB9AKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL3901418 0.69 TBXAS1 (0.54) RAB9ATBXAS1NPC1MAPTSMN1; SMN2
SCHEMBL7388461 0.69 TBXAS1 (0.56) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114448-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2002096873-A1 ISOINDOLE AND ISOQUINOLINE DERIVATIVES AS INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-12-05 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-20030114448-A1 Inhibitors of factor Xa SERPINC1, F11, TFPI RAB9A 1523/4885KMT2A 3746/4885TDP1 1108/4885

“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.