SCHEMBL14680275

SCHEMBL14680275

c1cc(CNc2ccc(N3CCCC3)cc2)ccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.78
▸ KDM4E B2RXH2 9/20 0.78
▸ ALOX12 P18054 6/20 0.78
▸ HTT P42858 4/20 0.78
▸ GAA P10253 10/20 0.59
▸ ALDH1A1 P00352 9/20 0.59
▸ L3MBTL1 Q9Y468 8/20 0.59
▸ MAPK1 P28482 7/20 0.59
▸ ALOX15 P16050 7/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ TDP1 Q9NUW8 4/20 0.59
▸ APP P05067 1/20 0.59
▸ SNCA P37840 1/20 0.59
▸ CHKA P35790 1/20 0.56
▸ PLA2G1B P04054 1/20 0.55
▸ ATG4B Q9Y4P1 1/20 0.55
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL30438522 0.94 KDM4E (0.68) MAPTKDM4EALOX12HTTGAA
SCHEMBL17131831 0.88 MAPT (1.00) MAPTKDM4EALOX12HTTGAA
SCHEMBL13879814 0.83 L3MBTL1 (0.63) MAPTKDM4EALOX12HTTGAA
SCHEMBL30855012 0.81 MAPT (0.89) MAPTKDM4EALOX12HTTGAA
SCHEMBL2464412 0.81 GAA (0.67) MAPTKDM4EALOX12HTTGAA
SCHEMBL2475972 0.81 GAA (0.63) MAPTKDM4EALOX12HTTGAA
SCHEMBL19242049 0.80 KDM4E (0.61) MAPTKDM4EALOX12HTTGAA
SCHEMBL30855008 0.80 MAPT (0.63) MAPTKDM4EALOX12HTTGAA
SCHEMBL30854966 0.80 L3MBTL1 (0.62) MAPTKDM4EALOX12HTTGAA
SCHEMBL30438654 0.79 PRMT6 (0.58) MAPTKDM4EALOX12HTTGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 — — US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 — — US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 — — US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 — — US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 — — US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 — — 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 (5 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 MAPT 1762/4885KDM4E 3258/4885ALOX12 1773/4885
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 MAPT 3689/4885KDM4E 2392/4885ALOX12 2228/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 MAPT 3689/4885KDM4E 2392/4885ALOX12 2228/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 MAPT 3689/4885KDM4E 2392/4885ALOX12 2228/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA MAPT 1460/4885KDM4E 2184/4885ALOX12 915/4885

“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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