SCHEMBL12644169

SCHEMBL12644169

Cc1cc(/N=N/c2cc3ccccc3cc2C(=O)Oc2ccccc2F)cc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.38
▸ MEN1 O00255 10/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ BRD4 O60885 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ MAPT P10636 5/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SERPINE1 P05121 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A4 P14672 1/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL12644230 0.90 NOTUM (0.35) KMT2AMEN1BRD4MAPTLMNA
SCHEMBL12644183 0.88 TTR (0.47) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL12645081 0.82 SERPINE1 (0.40) KMT2AMEN1NPC1RAB9ABRD4
SCHEMBL12644287 0.81 SERPINE1 (0.46) RAB9ABRD4ESR1ESR2MAPT
SCHEMBL12644170 0.80 MEN1 (0.38) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL12644185 0.79 MAPT (0.39) KMT2AMEN1NPC1ESR1ESR2
SCHEMBL12644727 0.78 SLC2A1 (0.47) KMT2AMEN1NPC1RAB9ABRD4
SCHEMBL12644192 0.78 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL13552067 0.77 BRD4 (0.37) KMT2AMEN1BRD4MAPTSERPINE1
SCHEMBL12644387 0.77 BRD4 (0.41) KMT2AMEN1BRD4MAPTSERPINE1

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 KMT2A 3072/4885MEN1 2496/4885HSP90AA1 1740/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB KMT2A 3072/4885MEN1 2496/4885HSP90AA1 1740/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB KMT2A 3072/4885MEN1 2496/4885HSP90AA1 1740/4885

“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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