SCHEMBL7126896

SCHEMBL7126896

NCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLA2G2A P14555 1/20 0.44
CYP2A6 P11509 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
SLC6A2 P23975 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
SCHEMBL7702938 0.87 HDAC1 (0.43) AGXTKDM4EMAPTMEN1ALDH1A1
SCHEMBL9985738 0.85 CA12 (0.50) AGXTKDM4EMAPTMEN1ALDH1A1
SCHEMBL1641388 0.82 MAPT (0.56) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL1784442 0.81 TAAR1 (0.60) KDM4ETAAR1ALDH1A1LTA4HPLA2G2A
SCHEMBL12370652 0.81 NPC1 (0.50) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL8119512 0.81 KDM4E (0.44) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL1608519 0.81 CA12 (0.50) KDM4EMAPTLTA4HMAPK1TDP1
SCHEMBL6542929 0.81 CA12 (0.50) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL30334792 0.81 CA12 (0.50) KDM4EMAPTLTA4HMAPK1TDP1
SCHEMBL7759148 0.81 KDM4E (0.44) KDM4EMAPTMEN1ALDH1A1KMT2A

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 AGXT 77/4885KDM4E 3179/4885MAPT 4813/4885

“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.