SCHEMBL12800784

SCHEMBL12800784

CC1OC(c2ccc(OCC3CCCO3)c(Cl)c2)O1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ EPHA2 P29317 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PTGER1 P34995 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ DRD4 P21917 2/20 0.36

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
SCHEMBL14804161 0.79 NPC1 (0.48) NPC1RAB9ACASP3SENP7HPGD
SCHEMBL1926867 0.77 RAB9A (0.47) NPC1RAB9ACASP3SENP7HPGD
SCHEMBL12800745 0.77 P2RX3 (0.39) —
SCHEMBL14804190 0.74 MAPT (0.51) NPC1RAB9AHPGDALDH1A1GAA
SCHEMBL30140451 0.74 NPC1 (0.43) NPC1RAB9ACASP3SENP7HPGD
SCHEMBL3048656 0.74 NPC1 (0.43) NPC1RAB9ACASP3SENP7HPGD
SCHEMBL13125277 0.73 NPC1 (0.56) NPC1RAB9ACASP3SENP7HPGD
SCHEMBL13125236 0.71 RAB9A (0.54) NPC1RAB9ACASP3SENP7HPGD
SCHEMBL10188109 0.70 DRD4 (0.46) NPC1RAB9ACASP3SENP7HPGD
SCHEMBL12180345 0.70 RAB9A (0.62) NPC1RAB9AHPGDTSHRALDH1A1

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-8338429-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-12-25 — — US disclosed
EP-2314586-A1 2-Acylaminothiazole derivative or salt thereof Astellas Pharma Inc. (JP) 2011-04-27 — — EP disclosed
US-20100222361-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-02 — — US disclosed
US-20100222329-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-02 — — US disclosed
US-7638536-B2 N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl]-3-fluoro-4-hydroxybenzamide; nonpeptide c-mpl ligand; low immunogenicity; proliferate human c-mpl-Ba/F3 cells; increase platelets by promoting the formation of megakaryocytic colonies; orally ASTELLAS PHARMA INC. (JP) 2009-12-29 — — 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 (2 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-20100222329-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 NPC1 2554/4885RAB9A 2257/4885CASP3 771/4885
US-20100222361-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 NPC1 2554/4885RAB9A 2257/4885CASP3 771/4885

“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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