SCHEMBL13422226

SCHEMBL13422226

Cc1cc(-c2csc(C3CCNCC3)n2)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.52
▸ BAZ2A Q9UIF9 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ AOC3 Q16853 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL7258954 0.83 HPGDS (0.49) HPGDSBAZ2AAOC3
SCHEMBL4262100 0.79 HPGDS (0.59) HPGDSBAZ2AALDH1A1SMN1; SMN2MEN1
SCHEMBL13422220 0.78 HPGDS (0.52) HPGDSBAZ2AALDH1A1SMN1; SMN2MEN1
Bromide SCHEMBL2983628 0.78 HPGDS (0.57) HPGDSBAZ2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12620735 0.78 BAZ2A (0.45) HPGDSBAZ2AMEN1KMT2AAOC3
SCHEMBL4262470 0.76 HPGDS (0.52) HPGDSBAZ2AMEN1KMT2AAOC3
SCHEMBL2297392 0.76 HPGDS (0.78) HPGDSBAZ2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4265265 0.76 HPGDS (0.61) HPGDSBAZ2AALDH1A1SMN1; SMN2MEN1
Bromide SCHEMBL2983703 0.75 HPGDS (0.51) HPGDSBAZ2AMEN1KMT2AAOC3
Hydrochloric Acid SCHEMBL3768256 0.74 HPGDS (0.76) HPGDSBAZ2AALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 — — US disclosed
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 — — US disclosed
EP-1636218-B1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2009-03-25 — — EP disclosed
US-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MERCK PATNET GMBH (DE) 2007-03-08 — — US 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-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MTTP, CETP, APOB HPGDS 537/4885BAZ2A 2981/4885ALDH1A1 955/4885

“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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