SCHEMBL12639686

SCHEMBL12639686

C#CC(=O)N(c1ccc(OC)cc1OC)C(C(=O)NC1CCCC1)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ YAP1 P46937 1/20 0.46
▸ TEAD4 Q15561 1/20 0.46
▸ GPX4 P36969 1/20 0.44

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
SCHEMBL12639691 0.93 POLB (0.54) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14788385 0.89 CYP1A2 (0.49) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12639437 0.88 MEN1 (0.53) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14788386 0.87 CYP1A2 (0.47) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14788383 0.86 POLB (0.56) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12639684 0.86 SMN1; SMN2 (0.61) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12639687 0.86 POLB (0.67) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12639504 0.85 MAPT (0.60) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14788390 0.83 GPX4 (0.54) POLBNPSR1SMN1; SMN2LMNAMAPT
SCHEMBL12639410 0.81 MEN1 (0.49) POLBCYP1A2CYP3A4CYP2D6CYP2C9

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 POLB 3598/4885CYP1A2 3618/4885CYP3A4 2987/4885
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers VHL, CYP11B2, SLC10A1 POLB 1374/4885CYP1A2 91/4885CYP3A4 133/4885

“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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