SCHEMBL13551992

SCHEMBL13551992

Cc1cc(CCc2cnc(C(=O)Oc3ccc([N+](=O)[O-])cc3)nc2)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ GAA P10253 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ BCL9 O00512 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAOB P27338 2/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HGFAC Q04756 1/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL13551971 0.87 GAA (0.45) MAPTGAAHPGDKMT2AALDH1A1
SCHEMBL12644466 0.85 MAPT (0.44) MAPTGAAHPGDKMT2AALDH1A1
SCHEMBL13551997 0.85 MAPT (0.46) MAPTGAAHPGDKMT2AALDH1A1
SCHEMBL12644427 0.84 TTR (0.46) MAPTGAAHPGDKMT2AALDH1A1
SCHEMBL12644191 0.84 ALDH1A1 (0.39) MAPTGAAHPGDKMT2AALDH1A1
SCHEMBL12644429 0.84 PTGS1 (0.54) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL13551999 0.83 HGFAC (0.46) MAPTGAAHPGDKMT2AALDH1A1
SCHEMBL12643999 0.83 MAPT (0.42) MAPTGAAHPGDKMT2AALDH1A1
SCHEMBL12644214 0.83 KMT2A (0.55) MAPTGAAHPGDKMT2AALDH1A1
SCHEMBL12644451 0.82 MAOB (0.45) MAPTKMT2AALDH1A1MEN1MAOB

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 10 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

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 MAPT 29/4885GAA 1719/4885HPGD 3426/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB MAPT 29/4885GAA 1719/4885HPGD 3426/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB MAPT 29/4885GAA 1719/4885HPGD 3426/4885

“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.

Send feedback