SCHEMBL12644200

SCHEMBL12644200

Cc1cc(/N=N/c2ncnc(C(=O)Oc3ccccc3F)n2)cc(C)c1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.36
▸ BRD3 Q15059 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ BRD7 Q9NPI1 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SERPINE1 P05121 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32

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) BRD4BRD3CREBBPBRD7MAPT
SCHEMBL12644387 0.84 BRD4 (0.41) BRD4BRD3CREBBPBRD7MAPT
SCHEMBL12644201 0.81 SERPINE1 (0.38) MAPTHTTKMT2AMEN1HSD17B10
SCHEMBL12644287 0.79 SERPINE1 (0.46) BRD4BRD3CREBBPBRD7MAPT
SCHEMBL12644403 0.78 BRD4 (0.40) BRD4BRD3CREBBPBRD7MAPT
SCHEMBL12644204 0.78 BRD4 (0.35) BRD4BRD3CREBBPBRD7
SCHEMBL12644225 0.77 PTGS1 (0.43) MAPTHTTKMT2AMEN1HSD17B10
SCHEMBL12644198 0.77 TTR (0.43) MAPT
SCHEMBL12644467 0.76 MAPT (0.41) BRD4BRD3CREBBPBRD7MAPT
SCHEMBL12644449 0.76 BRD4 (0.39) BRD4BRD3CREBBPBRD7MAPT

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 BRD4 4785/4885BRD3 4766/4885CREBBP 2040/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB BRD4 4785/4885BRD3 4766/4885CREBBP 2040/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB BRD4 4785/4885BRD3 4766/4885CREBBP 2040/4885

“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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