SCHEMBL709120

SCHEMBL709120

COc1cc(C(=O)c2nc3cc(Br)ccc3n2CCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HDAC1 Q13547 3/20 0.49
TUBB4A P04350 4/20 0.48
TUBB P07437 4/20 0.48
TUBA3C P0DPH7 4/20 0.48
TUBA1B P68363 4/20 0.48
TUBA4A P68366 4/20 0.48
TUBB4B P68371 4/20 0.48
TUBB3 Q13509 4/20 0.48
TUBB2A Q13885 4/20 0.48
TUBB8 Q3ZCM7 4/20 0.48
TUBA3E Q6PEY2 4/20 0.48
TUBA1A Q71U36 4/20 0.48
TUBA1C Q9BQE3 4/20 0.48
TUBB6 Q9BUF5 4/20 0.48
TUBB2B Q9BVA1 4/20 0.48
TUBB1 Q9H4B7 4/20 0.48
HDAC8 Q9BY41 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL708380 0.83 LPAR1 (0.51) POLBKDM4EHDAC1NPSR1ALDH1A1
SCHEMBL708371 0.77 POLB (0.54) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL707552 0.69 POLB (0.50) POLBKDM4EHDAC1HDAC8NPSR1
SCHEMBL706891 0.69 KMT2A (0.42) POLBKDM4EHDAC1HDAC8NPSR1
SCHEMBL427783 0.68 TUBB4A (0.55) KDM4EHDAC1TUBB4ATUBBTUBA3C
SCHEMBL708379 0.68 POLB (0.51) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL707714 0.67 LPAR1 (0.51) POLBKDM4ENPSR1LMNAALDH1A1
SCHEMBL704971 0.67 PPARG (0.48) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL707130 0.66 PPARG (0.54) POLBKDM4ELMNA
SCHEMBL15135930 0.66 TUBB4A (0.48) HDAC1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 POLB 1235/4885KDM4E 4132/4885HDAC1 983/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 POLB 1235/4885KDM4E 4132/4885HDAC1 983/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 POLB 1235/4885KDM4E 4132/4885HDAC1 983/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 POLB 1235/4885KDM4E 4132/4885HDAC1 983/4885

“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.