SCHEMBL12639696

SCHEMBL12639696

C#CC(=O)N(c1ccc(-n2cnnn2)c(C)c1)C(C(=O)NC1CCCC1)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ IDH1 O75874 13/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL14788309 0.89 USP2 (0.58) USP2POLBALDH1A1L3MBTL1IDH1
SCHEMBL12639693 0.89 USP2 (0.73) USP2POLBALDH1A1L3MBTL1KDM4E
SCHEMBL14788380 0.88 USP2 (0.60) USP2POLBALDH1A1L3MBTL1IDH1
SCHEMBL14788515 0.88 USP2 (0.63) USP2POLBALDH1A1L3MBTL1IDH1
SCHEMBL14788601 0.87 USP2 (0.62) USP2POLBALDH1A1L3MBTL1IDH1
SCHEMBL12696356 0.84 USP2 (0.62) USP2POLBALDH1A1L3MBTL1KDM4E
SCHEMBL14788384 0.77 USP2 (0.51) USP2POLBALDH1A1L3MBTL1KDM4E
SCHEMBL12639698 0.76 MAPT (0.58) USP2ALDH1A1L3MBTL1IDH1TSHR
SCHEMBL12696371 0.75 MAPT (0.42) IDH1TSHRMAPT
SCHEMBL12639513 0.74 IDH1 (0.47) IDH1TSHRMAPT

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-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 — — US disclosed
US-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 — — US disclosed
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — US disclosed
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — US disclosed
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 — — US disclosed
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 — — US disclosed
WO-2009150248-A1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS CYTOMICS SYSTEMS (FR) 2009-12-17 — — 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-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon RELA, NFE2, NCOA1 USP2 1440/4885POLB 3598/4885ALDH1A1 1558/4885
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers VHL, CYP11B2, SLC10A1 USP2 4767/4885POLB 1374/4885ALDH1A1 179/4885

“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.

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