SCHEMBL12620735

SCHEMBL12620735

Cc1cc(-c2csc(C3CCNCC3)n2)c(O)c2c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BAZ2A Q9UIF9 6/20 0.45
▸ HPGDS O60760 1/20 0.41
▸ PLAT P00750 4/20 0.34
▸ AOC3 Q16853 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SPR P35270 4/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL13422226 0.78 HPGDS (0.52) BAZ2AHPGDSPLATAOC3MEN1
SCHEMBL12620707 0.71 HPGDS (0.42) BAZ2AHPGDSPLATMEN1KMT2A
SCHEMBL1042507 0.70 HPGDS (0.47) BAZ2AHPGDSAOC3CHRM4MEN1
SCHEMBL7258954 0.70 HPGDS (0.49) BAZ2AHPGDSAOC3
SCHEMBL18997369 0.70 ALDH1A1 (0.43) BAZ2AHPGDSMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL17541611 0.69 HPGDS (0.46) BAZ2AHPGDSAOC3CHRM4MEN1
SCHEMBL20195251 0.69 HPGDS (0.52) BAZ2AHPGDSAOC3MEN1KMT2A
SCHEMBL4262100 0.68 HPGDS (0.59) BAZ2AHPGDSPLATMEN1KMT2A
Bromide SCHEMBL2983628 0.67 HPGDS (0.57) BAZ2AHPGDSPLATMEN1KMT2A
SCHEMBL3765828 0.66 HPGDS (0.56) BAZ2AHPGDSPLATAOC3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436186-B2 Thiazolyl piperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 — — US disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 — — US disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 — — 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-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES SPHK1, S1PR1, SPHK2 BAZ2A 1741/4885HPGDS 1318/4885PLAT 2027/4885

“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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