SCHEMBL14680225

SCHEMBL14680225

CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 0.54
MEN1 O00255 13/20 0.54
MAPT P10636 5/20 0.54
RECQL P46063 3/20 0.54
POLB P06746 9/20 0.51
CTDSP1 Q9GZU7 3/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PSMD14 O00487 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SNRNP200 O75643 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NSD2 O96028 1/20 0.49
MMP2 P08253 1/20 0.49
DNMT1 P26358 1/20 0.49
MCL1 Q07820 1/20 0.49
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6720997 0.72 MAPT (0.61) KMT2AMEN1MAPTRECQLPOLB
SCHEMBL22523765 0.67 SNRNP200 (0.88) KMT2AMEN1MAPTRECQLPOLB
SCHEMBL16229979 0.66 SNRNP200 (0.57) KMT2AMEN1MAPTRECQLPOLB
SCHEMBL3503224 0.65 PTP4A3 (0.74) KMT2AMEN1MAPTRECQLPOLB
SCHEMBL3503222 0.65 PTP4A3 (0.74) KMT2AMEN1MAPTRECQLPOLB
SCHEMBL12076 0.64 SNRNP200 (0.55) KMT2AMEN1MAPTRECQLPOLB
SCHEMBL22036585 0.64 SNRNP200 (0.57) KMT2AMEN1MAPTRECQLPOLB
SCHEMBL22036232 0.64 SNRNP200 (0.56) KMT2AMEN1MAPTRECQLPOLB
SCHEMBL12177529 0.63 ALDH1A1 (0.59) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL31358866 0.63 KMT2A (0.69) KMT2AMEN1MAPTRECQLPOLB

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
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-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 3416/4885MAPT 1762/4885
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 3272/4885MAPT 3689/4885
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 3272/4885MAPT 3689/4885
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 3272/4885MAPT 3689/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA KMT2A 2501/4885MEN1 2434/4885MAPT 1460/4885

“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.