SCHEMBL12644247

SCHEMBL12644247

Cc1cc(/C=C/c2ncnc(C(=O)Oc3ccc([N+](=O)[O-])cc3)n2)cc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.42
▸ PTGS2 P35354 6/20 0.40
▸ PTGS1 P23219 3/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BCL9 O00512 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL12644197 0.85 TTR (0.58) TTRPTGS2PTGS1ALOX5
SCHEMBL12644427 0.84 TTR (0.46) TTRPTGS2PTGS1KMT2AMEN1
SCHEMBL12644224 0.81 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL12644172 0.81 TTR (0.39) TTRPTGS2PTGS1ALOX5
SCHEMBL12644210 0.79 KMT2A (0.55) TTRPTGS2PTGS1KMT2AMEN1
SCHEMBL12644477 0.78 PTGS2 (0.46) TTRPTGS2PTGS1KMT2AMEN1
SCHEMBL12644228 0.78 HGFAC (0.41) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL12644191 0.78 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL12643989 0.77 TTR (0.43) TTRPTGS2PTGS1KMT2AMEN1
SCHEMBL12644435 0.76 TTR (0.44) TTRPTGS2PTGS1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 — — US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 — — US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 — — US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 — — US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 — — US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 — — US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 — — US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 — — US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 — — US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 — — US disclosed
WO-2011075210-A2 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 — — 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 (3 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-20140336254-A1 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TTR 1/4885PTGS2 3961/4885PTGS1 3544/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TTR 1/4885PTGS2 3961/4885PTGS1 3544/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB TTR 1/4885PTGS2 3961/4885PTGS1 3544/4885

“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.

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