SCHEMBL14680180

SCHEMBL14680180

CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(SCc5ccco5)o4)C(=O)N=C3S2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.71
KMT2A Q03164 14/20 0.71
MAPT P10636 10/20 0.71
POLB P06746 10/20 0.71
RECQL P46063 6/20 0.71
THRB P10828 4/20 0.71
BLM P54132 3/20 0.71
NSD2 O96028 2/20 0.71
ESR1 P03372 1/20 0.71
KDM4E B2RXH2 5/20 0.69
TDP1 Q9NUW8 5/20 0.69
ALDH1A1 P00352 4/20 0.69
MCL1 Q07820 3/20 0.69
HPGD P15428 3/20 0.69
PSMD14 O00487 2/20 0.69
MMP2 P08253 2/20 0.69
ESR2 Q92731 1/20 0.69
L3MBTL1 Q9Y468 2/20 0.68
DNMT1 P26358 1/20 0.68
CYP1A2 P05177 1/20 0.64

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
SCHEMBL17229209 0.79 MEN1 (0.43) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL20705607 0.78 MEN1 (0.47) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL14680224 0.77 MEN1 (0.75) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL20272264 0.74 KMT2A (0.48) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL14680327 0.71 MEN1 (0.62) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL13464887 0.70 KMT2A (0.55) MEN1KMT2AMAPTPOLBTHRB
SCHEMBL23131419 0.62 KMT2A (0.46) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL22523765 0.59 SNRNP200 (0.88) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL6129957 0.55 MAPT (0.44) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL14375212 0.53 ACHE (0.54) MEN1KMT2AKDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 MEN1 3416/4885KMT2A 3471/4885MAPT 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 MEN1 3272/4885KMT2A 2775/4885MAPT 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 MEN1 3272/4885KMT2A 2775/4885MAPT 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 MEN1 3272/4885KMT2A 2775/4885MAPT 3689/4885

“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.