SCHEMBL12644228

SCHEMBL12644228

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HGFAC Q04756 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 8/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 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
SCHEMBL12644231 0.85 TTR (0.43) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL13551999 0.85 HGFAC (0.46) HGFACALDH1A1KMT2AMAPTKDM4E
SCHEMBL12644224 0.81 MAPT (0.43) HGFACALDH1A1KMT2AMAPTKDM4E
SCHEMBL12644204 0.81 BRD4 (0.35) BRD4
SCHEMBL13551972 0.80 ALDH1A1 (0.46) HGFACALDH1A1KMT2AMAPTKDM4E
SCHEMBL13552104 0.80 HGFAC (0.60) HGFACALDH1A1KMT2AMAPTGAA
SCHEMBL12644247 0.78 TTR (0.42) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL12644191 0.78 ALDH1A1 (0.39) HGFACALDH1A1KMT2AMAPTKDM4E
SCHEMBL12644514 0.77 MAPT (0.42) HGFACALDH1A1KMT2AMAPTKDM4E
SCHEMBL13552047 0.76 MAPT (0.43) HGFACALDH1A1KMT2AMAPTKDM4E

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 HGFAC 528/4885ALDH1A1 1584/4885KMT2A 3072/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB HGFAC 528/4885ALDH1A1 1584/4885KMT2A 3072/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB HGFAC 528/4885ALDH1A1 1584/4885KMT2A 3072/4885

“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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