SCHEMBL1878114

SCHEMBL1878114

O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)CCl)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 2/20 0.48
▸ TEAD4 Q15561 2/20 0.48
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ PRNP P04156 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NCOA1 Q15788 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
SCHEMBL15189097 0.92 MEN1 (0.48) YAP1TEAD4MAPTMEN1KMT2A
SCHEMBL1888399 0.84 MAPT (0.62) YAP1TEAD4MAPTMEN1KMT2A
SCHEMBL1881482 0.84 MAPT (0.48) YAP1TEAD4MAPTMEN1KMT2A
SCHEMBL1878090 0.84 YAP1 (0.56) YAP1TEAD4MAPTMEN1KMT2A
SCHEMBL1887723 0.81 MAPT (0.54) YAP1TEAD4MAPTMEN1KMT2A
SCHEMBL1882201 0.79 SMN1; SMN2 (0.56) YAP1TEAD4MAPTMEN1KMT2A
SCHEMBL1883383 0.79 MAPT (0.53) YAP1TEAD4MAPTMEN1KMT2A
SCHEMBL1882881 0.78 SMN1; SMN2 (0.53) YAP1TEAD4MAPTMEN1KMT2A
SCHEMBL12639677 0.78 MAPT (0.53) YAP1TEAD4MAPTMEN1KMT2A
SCHEMBL1887127 0.78 YAP1 (0.66) YAP1TEAD4MAPTMEN1KMT2A

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 8 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-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 — — US disclosed
EP-2307017-B1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS PITTY MARC HENRY (FR) 2013-08-14 — — EP 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
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 YAP1 488/4885TEAD4 896/4885MAPT 2578/4885

“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.

Send feedback