SCHEMBL12790100

SCHEMBL12790100

CC(=O)N1c2ccccc2NC2=C(C(=O)CC(c3ccc(C)cc3)C2)C1c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 1.00
HSD17B10 Q99714 2/20 0.69
USP2 O75604 1/20 0.69
ALDH1A1 P00352 4/20 0.65
TSHR P16473 1/20 0.56
KDM4E B2RXH2 6/20 0.56
MAPK1 P28482 1/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL12790043 0.91 MEN1 (1.00) MEN1HSD17B10USP2ALDH1A1TSHR
SCHEMBL12790109 0.91 MEN1 (1.00) MEN1HSD17B10USP2ALDH1A1TSHR
SCHEMBL12790105 0.89 MEN1 (1.00) MEN1HSD17B10USP2ALDH1A1TSHR
SCHEMBL18962535 0.88 MEN1 (0.89) MEN1HSD17B10USP2ALDH1A1TSHR
SCHEMBL12541285 0.85 MEN1 (0.73) MEN1HSD17B10USP2ALDH1A1TSHR
SCHEMBL18962533 0.84 MEN1 (0.84) MEN1HSD17B10USP2ALDH1A1TSHR
SCHEMBL18962532 0.83 MEN1 (0.71) MEN1HSD17B10USP2ALDH1A1TSHR
SCHEMBL14950924 0.82 MEN1 (0.69) MEN1HSD17B10USP2ALDH1A1KDM4E
SCHEMBL12790050 0.81 MEN1 (1.00) MEN1HSD17B10USP2ALDH1A1TSHR
SCHEMBL14950833 0.78 MEN1 (0.64) MEN1HSD17B10USP2ALDH1A1KDM4E

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
EP-2473054-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA UNIV MICHIGAN REGENTS (US) 2017-06-14 EP disclosed
US-20160045504-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-02-18 US disclosed
US-20160045504-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-02-18 US disclosed
US-8993552-B2 Compositions and methods for treatment of leukemia THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-31 US disclosed
US-8993552-B2 Compositions and methods for treatment of leukemia THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-31 US disclosed
US-20110065690-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-17 US disclosed
US-20110065690-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-17 US disclosed
WO-2011029054-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-10 WO 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-20160045504-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA MLLT1, MCL1, MLLT3 MEN1 10/4885HSD17B10 3266/4885USP2 2853/4885
US-20110065690-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA MLLT1, MCL1, MLLT3 MEN1 10/4885HSD17B10 3266/4885USP2 2853/4885

“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.