SCHEMBL2292502

SCHEMBL2292502

COC(=O)c1c(C)noc1-c1ccc(Br)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.42
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.39
PTGS1 P23219 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
SMURF2 Q9HAU4 1/20 0.37
SMURF1 Q9HCE7 1/20 0.37
NOTUM Q6P988 1/20 0.37
CNR2 P34972 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL2289885 0.86 SMURF2 (0.44) HTTNPC1L3MBTL1POLBKDM4E
SCHEMBL342784 0.85 HTT (0.52) HTTPOLBKDM4EALDH1A1PKM
SCHEMBL1883 0.79 RAB9A (0.57) HTTNPC1POLBKDM4EALDH1A1
SCHEMBL2288169 0.78 HTT (0.52) HTTNPC1L3MBTL1POLBKDM4E
SCHEMBL24015010 0.78 HTT (0.52) HTTNPC1L3MBTL1POLBKDM4E
SCHEMBL3703021 0.78 HTT (0.52) HTTNPC1L3MBTL1POLBKDM4E
SCHEMBL3709582 0.77 HTT (0.54) HTTPOLBKDM4EALDH1A1PKM
SCHEMBL3707019 0.74 HTT (0.58) HTTNPC1L3MBTL1POLBKDM4E
SCHEMBL343837 0.73 EDNRB (0.43) HTTNPC1L3MBTL1POLBKDM4E
SCHEMBL13615437 0.73 MAPT (0.57) HTTNPC1L3MBTL1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 EP disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-8048902-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC., (US) 2011-08-11 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 US 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 (4 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-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HTT 3033/4885NPC1 443/4885L3MBTL1 2068/4885
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HTT 3033/4885NPC1 443/4885L3MBTL1 2068/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HTT 3033/4885NPC1 443/4885L3MBTL1 2068/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HTT 3033/4885NPC1 443/4885L3MBTL1 2068/4885

“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.