SCHEMBL14711630

SCHEMBL14711630

O=C(Nc1ncoc1-c1ccc(Br)cc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ROCK2 O75116 1/20 0.44
MGLL Q99685 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
GSK3B P49841 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ENPP2 Q13822 1/20 0.41
MAPT P10636 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 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
SCHEMBL14711731 0.82 MGLL (0.43) POLBROCK2MGLLNPC1RAB9A
SCHEMBL14712086 0.81 POLB (0.45) POLBROCK2MGLLNPC1RAB9A
SCHEMBL14790492 0.81 ROCK2 (0.41) POLBROCK2MGLLNPC1RAB9A
SCHEMBL14790491 0.80 ROCK2 (0.40) POLBROCK2MGLLNPC1RAB9A
SCHEMBL14711700 0.80 ROCK2 (0.39) POLBROCK2MGLLNPC1RAB9A
SCHEMBL9899711 0.78 KDM4E (0.41) POLBNPC1RAB9AALDH1A1KDM4E
SCHEMBL9915926 0.78 LPAR1 (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL343051 0.75 LPAR1 (0.56) POLBROCK2MGLLNPC1RAB9A
SCHEMBL1171853 0.74 POLB (0.68) POLBROCK2MGLLNPC1RAB9A
SCHEMBL14790383 0.73 POLB (0.46) POLBROCK2MGLLNPC1RAB9A

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 POLB 4247/4885ROCK2 1939/4885MGLL 102/4885

“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.