SCHEMBL12639677

SCHEMBL12639677

O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)CCl)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PRNP P04156 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
YAP1 P46937 1/20 0.48
TEAD4 Q15561 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.47
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL15189166 0.92 MAPT (0.54) MAPTMEN1KMT2APRNPSMN1; SMN2
SCHEMBL1888399 0.88 MAPT (0.62) MAPTMEN1KMT2APRNPSMN1; SMN2
SCHEMBL1887723 0.85 MAPT (0.54) MAPTMEN1KMT2APRNPSMN1; SMN2
SCHEMBL1882201 0.82 SMN1; SMN2 (0.56) MAPTMEN1KMT2APRNPSMN1; SMN2
SCHEMBL1883383 0.82 MAPT (0.53) MAPTMEN1KMT2APRNPSMN1; SMN2
SCHEMBL1887127 0.81 YAP1 (0.66) MAPTMEN1KMT2APRNPSMN1; SMN2
SCHEMBL1882881 0.81 SMN1; SMN2 (0.53) MAPTMEN1KMT2APRNPSMN1; SMN2
SCHEMBL1886649 0.81 MAPT (0.53) MAPTMEN1KMT2APRNPSMN1; SMN2
SCHEMBL1888843 0.81 SMN1; SMN2 (0.68) MAPTMEN1KMT2APRNPSMN1; SMN2
SCHEMBL1882242 0.81 SMN1; SMN2 (0.52) MAPTMEN1KMT2APRNPSMN1; SMN2

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 MAPT 2578/4885MEN1 70/4885KMT2A 3789/4885

“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.