SCHEMBL12639470

SCHEMBL12639470

C#CC(=O)N(c1ccc(C)cc1C)C(C(=O)NC1CCCCC1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ MAPT P10636 2/20 0.47
▸ PRNP P04156 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ THRB P10828 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
SCHEMBL12639535 0.90 MEN1 (0.51) KMT2ASMN1; SMN2MEN1MAPTPRNP
SCHEMBL12639502 0.87 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2MEN1MAPTPRNP
SCHEMBL12639450 0.85 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2MEN1MAPTPRNP
SCHEMBL12639468 0.83 MAPT (0.49) KMT2ASMN1; SMN2MEN1MAPTPRNP
SCHEMBL12639457 0.83 TDP1 (0.48) KMT2ASMN1; SMN2MEN1MAPTPRNP
SCHEMBL12639412 0.83 TDP1 (0.48) KMT2ASMN1; SMN2MEN1MAPTPRNP
SCHEMBL12639517 0.82 MAPK1 (0.57) KMT2ASMN1; SMN2MEN1MAPTPRNP
SCHEMBL12639415 0.81 MEN1 (0.47) KMT2ASMN1; SMN2MEN1MAPTPRNP
SCHEMBL12639437 0.81 MEN1 (0.53) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL12639715 0.81 TDP1 (0.59) KMT2ASMN1; SMN2MEN1MAPTPRNP

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 5 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-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 (1 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-20110104162-A1 Compounds which can be used for the Treatment of Cancers VHL, CYP11B2, SLC10A1 KMT2A 3789/4885SMN1; SMN2 2101/4885MEN1 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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