SCHEMBL12639715

SCHEMBL12639715

C#CC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.59
▸ MAPT P10636 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ PRNP P04156 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TSHR P16473 3/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 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
SCHEMBL12639496 0.94 TDP1 (0.54) TDP1MAPTMEN1KMT2APRNP
SCHEMBL12639406 0.92 MEN1 (0.54) TDP1MAPTMEN1KMT2APRNP
SCHEMBL12639515 0.91 TDP1 (0.51) TDP1MAPTMEN1KMT2APRNP
SCHEMBL12639485 0.91 TDP1 (0.51) TDP1MAPTMEN1KMT2APRNP
SCHEMBL12639502 0.91 SMN1; SMN2 (0.66) TDP1MAPTMEN1KMT2APRNP
SCHEMBL12639427 0.91 MEN1 (0.54) TDP1MAPTMEN1KMT2APRNP
SCHEMBL12639491 0.89 SMN1; SMN2 (0.54) TDP1MAPTMEN1KMT2APRNP
SCHEMBL12639363 0.89 SMN1; SMN2 (0.52) TDP1MAPTMEN1KMT2APRNP
SCHEMBL12639486 0.89 SMN1; SMN2 (0.54) TDP1MAPTMEN1KMT2APRNP
SCHEMBL12639416 0.88 SMN1; SMN2 (0.56) TDP1MAPTMEN1KMT2APRNP

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
WO-2012129452-A2 PROPYNOIC ACID CARBAMOYL METHYL-ALMIDES AND PHARMACEUTICAL COMPOSITIONS AND METHODS BASED THEREON UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-09-27 — — WO 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 TDP1 4097/4885MAPT 1137/4885MEN1 1064/4885
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers VHL, CYP11B2, SLC10A1 TDP1 3514/4885MAPT 2578/4885MEN1 70/4885

“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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