SCHEMBL13435

SCHEMBL13435

Cc1noc(-c2ccc(-c3ccccc3)cc2)c1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
BRD2 P25440 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TDO2 P48775 1/20 0.41
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
SLC6A9 P48067 1/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL244016 0.97 BRD4 (0.46) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14789800 0.88 RAB9A (0.37) ALDH1A1MAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL18597734 0.86 RAB9A (0.38) ALDH1A1MAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL1185 0.85 CYP1A2 (0.44) ALDH1A1MAPTSMN1; SMN2EDNRBEDNRA
SCHEMBL14792983 0.83 ALDH1A1 (0.46) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL27743828 0.83 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8976521 0.82 BRD4 (0.48) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13828388 0.82 BRD4 (0.42) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14792982 0.80 BRD4 (0.40) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13828379 0.80 L3MBTL1 (0.48) BRD4BRD2ALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 BRD4 1103/4885BRD2 1466/4885ALDH1A1 3990/4885

“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.