SCHEMBL1960009

SCHEMBL1960009

Cn1cc(/C=C(/C#N)c2nc3ccccc3s2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ LMNA P02545 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ RECQL P46063 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ RAB9A P51151 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53

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
SCHEMBL1960010 1.00 MAPT (0.57) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1960006 1.00 MAPT (0.57) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1958359 0.78 MEN1 (0.60) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1958361 0.78 MEN1 (0.60) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1958362 0.78 MEN1 (0.60) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL18032712 0.75 MEN1 (0.57) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10476377 0.75 MEN1 (0.60) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL21023357 0.75 MEN1 (0.66) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL16532912 0.74 MEN1 (0.66) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27983252 0.74 MEN1 (0.82) MAPTLMNASMN1; SMN2MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP claimed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US claimed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP claimed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US claimed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP claimed
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP disclosed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP 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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 MAPT 3660/4885LMNA 4321/4885SMN1; SMN2 4826/4885

“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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