SCHEMBL13551977

SCHEMBL13551977

Cc1cc(-c2ccc(C(=O)Oc3cncnc3)nc2)cc(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ HSD17B14 Q9BPX1 1/20 0.39
▸ FYN P06241 3/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ DYRK1A Q13627 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ PIK3CA P42336 2/20 0.33
▸ PI4KA P42356 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33
▸ PIP5K1C O60331 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ GRM5 P41594 1/20 0.33

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
SCHEMBL12644502 0.84 TTR (0.47) KMT2AMEN1TDP1HSD17B1HSD17B2
SCHEMBL13552116 0.83 KMT2A (0.42) KMT2AMEN1
SCHEMBL13552004 0.83 CA1 (0.39) KMT2AFYNCA1CA2GPR84
SCHEMBL13551980 0.82 BRD4 (0.39) KMT2AMEN1TDP1GRM5MAPK1
SCHEMBL13551983 0.81 PTGS1 (0.40) KMT2AMEN1TDP1GRM5
SCHEMBL13551987 0.81 PTGS1 (0.45) —
SCHEMBL13551974 0.80 ALDH1A1 (0.47) KMT2AMEN1TDP1
SCHEMBL12644737 0.77 MAPT (0.46) KMT2ATDP1
SCHEMBL12644430 0.77 HSD17B1 (0.44) KMT2AMEN1TDP1HSD17B1HSD17B2
SCHEMBL13552012 0.73 KMT2A (0.33) KMT2AMEN1CA1CA2GRM5

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 KMT2A 3072/4885MEN1 2496/4885TDP1 557/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB KMT2A 3072/4885MEN1 2496/4885TDP1 557/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB KMT2A 3072/4885MEN1 2496/4885TDP1 557/4885

“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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