SCHEMBL14682189

SCHEMBL14682189

O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 20/20 0.71
MEN1 O00255 19/20 0.71
POLB P06746 10/20 0.71
MAPT P10636 8/20 0.71
ALDH1A1 P00352 6/20 0.71
RAB9A P51151 4/20 0.71
NPC1 O15118 3/20 0.71
GAA P10253 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
LMNA P02545 1/20 0.71
L3MBTL1 Q9Y468 3/20 0.70
RECQL P46063 3/20 0.66
ALOX12 P18054 2/20 0.66
KDM4E B2RXH2 2/20 0.66
HPGD P15428 2/20 0.66
HTT P42858 1/20 0.66
GPR55 Q9Y2T6 1/20 0.60
THRB P10828 2/20 0.58
NSD2 O96028 1/20 0.58
ALPL P05186 1/20 0.58

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
SCHEMBL6721022 0.83 KMT2A (1.00) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14096607 0.82 KMT2A (0.68) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5444499 0.77 RAB9A (0.67) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL9453927 0.71 ALDH1A1 (0.67) KMT2AMAPTALDH1A1GAASMN1; SMN2
SCHEMBL14096448 0.70 KMT2A (0.79) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5455469 0.70 ALDH1A1 (0.80) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL14096649 0.69 ALDH1A1 (0.68) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7819531 0.68 KMT2A (0.59) KMT2APOLBMAPTALDH1A1GAA
SCHEMBL5046634 0.68 NPC1 (0.74) POLBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28641153 0.68 ALDH1A1 (0.64) KMT2AMEN1MAPTALDH1A1RAB9A

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 6 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
EP-3138838-A1 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) 2017-03-08 EP 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 KMT2A 3471/4885MEN1 3416/4885POLB 277/4885
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 KMT2A 2775/4885MEN1 3272/4885POLB 1363/4885
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 KMT2A 2775/4885MEN1 3272/4885POLB 1363/4885
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 KMT2A 2775/4885MEN1 3272/4885POLB 1363/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA KMT2A 2501/4885MEN1 2434/4885POLB 417/4885

“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.