SCHEMBL12639437

SCHEMBL12639437

C#CC(=O)N(c1ccccc1OC)C(C(=O)NC1CCCCC1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ GPX4 P36969 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 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
SCHEMBL12639410 0.89 MEN1 (0.49) MEN1KMT2APOLBMAPTLMNA
SCHEMBL12639691 0.88 POLB (0.54) MEN1KMT2APOLBMAPTLMNA
SCHEMBL12639686 0.88 POLB (0.53) MEN1KMT2APOLBMAPTLMNA
SCHEMBL1568336 0.88 MEN1 (0.46) MEN1KMT2APOLBMAPTLMNA
SCHEMBL12639535 0.88 MEN1 (0.51) MEN1KMT2APOLBMAPTCYP1A2
SCHEMBL12639457 0.87 TDP1 (0.48) MEN1KMT2APOLBMAPTCYP1A2
SCHEMBL12639412 0.87 TDP1 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL1878090 0.86 YAP1 (0.56) MEN1KMT2APOLBMAPTLMNA
SCHEMBL12639517 0.86 MAPK1 (0.57) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL12639415 0.85 MEN1 (0.47) MEN1KMT2APOLBMAPTLMNA

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 MEN1 70/4885KMT2A 3789/4885POLB 1374/4885

“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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