SCHEMBL17229209

SCHEMBL17229209

CC1CCN(C2=NN3C(=N)C(Cc4ccc(SCc5ccco5)o4)C(=O)N=C3S2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
POLB P06746 8/20 0.43
MAPT P10636 7/20 0.43
RECQL P46063 5/20 0.43
THRB P10828 4/20 0.43
BLM P54132 3/20 0.43
NSD2 O96028 2/20 0.43
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
MCL1 Q07820 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
PSMD14 O00487 2/20 0.42
MMP2 P08253 2/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
DNMT1 P26358 1/20 0.42
CYP1A2 P05177 1/20 0.39

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
SCHEMBL14680180 0.79 MEN1 (0.71) MEN1KMT2APOLBMAPTRECQL
SCHEMBL20272264 0.64 KMT2A (0.48) MEN1KMT2APOLBMAPTRECQL
SCHEMBL6129957 0.56 MAPT (0.44) MEN1KMT2APOLBMAPTRECQL
SCHEMBL13464887 0.54 KMT2A (0.55) MEN1KMT2APOLBMAPTTHRB
Methylcyclopentane SCHEMBL11515452 0.54 ALDH1A1 (0.54) MEN1KMT2APOLBMAPTRECQL
SCHEMBL14375212 0.54 ACHE (0.54) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL15604222 0.51 KDM4E (0.34) MEN1KMT2APOLBMAPTRECQL
SCHEMBL4613873 0.48 ALDH1A1 (0.39) MEN1KMT2APOLBMAPTRECQL
Water SCHEMBL27837138 0.48 TSHR (0.44) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8553198 0.47 ALKBH5 (0.43) MEN1KMT2APOLBMAPTRECQL

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 2775/4885POLB 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 MEN1 3272/4885KMT2A 2775/4885POLB 1363/4885

“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.