SCHEMBL12644191

SCHEMBL12644191

Cc1cc(CCc2ncnc(C(=O)Oc3ccc([N+](=O)[O-])cc3)n2)cc(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 7/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ BCL9 O00512 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ HGFAC Q04756 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL12644171 0.85 PTGS1 (0.48) ALDH1A1KMT2AMAPTGAAHPGD
SCHEMBL13551992 0.84 MAPT (0.44) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL12644224 0.81 MAPT (0.43) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL12644184 0.81 PTGS1 (0.33) —
SCHEMBL12644214 0.79 KMT2A (0.55) ALDH1A1KMT2AMAPTGAAHPGD
SCHEMBL13551971 0.78 GAA (0.45) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL12644247 0.78 TTR (0.42) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL12644228 0.78 HGFAC (0.41) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL12644466 0.77 MAPT (0.44) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL12643999 0.77 MAPT (0.42) ALDH1A1KMT2AMAPTKDM4EGAA

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 ALDH1A1 1584/4885KMT2A 3072/4885MAPT 29/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB ALDH1A1 1584/4885KMT2A 3072/4885MAPT 29/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB ALDH1A1 1584/4885KMT2A 3072/4885MAPT 29/4885

“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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