SCHEMBL14804161

SCHEMBL14804161

CCc1ccc(OCC2CCCO2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
DRD4 P21917 7/20 0.47
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
EPHA2 P29317 1/20 0.43
KDR P35968 1/20 0.43
TRPC5 Q9UL62 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL20820540 0.85 MAPT (0.50) NPC1CASP3RAB9ASENP7DRD4
SCHEMBL1926867 0.82 RAB9A (0.47) NPC1CASP3RAB9ASENP7DRD4
SCHEMBL13125236 0.81 RAB9A (0.54) NPC1CASP3RAB9ASENP7TSHR
SCHEMBL171697 0.80 HPGD (0.46) HPGD
SCHEMBL1552798 0.79 HTR2A (0.51) NPC1CASP3RAB9ASENP7TSHR
SCHEMBL1552799 0.79 HTR2A (0.51) NPC1CASP3RAB9ASENP7TSHR
SCHEMBL1552795 0.79 HTR2A (0.51) NPC1CASP3RAB9ASENP7TSHR
SCHEMBL12800784 0.79 NPC1 (0.45) NPC1CASP3RAB9ASENP7DRD4
SCHEMBL14804190 0.79 MAPT (0.51) NPC1RAB9ADRD4ALDH1A1HPGD
SCHEMBL13849692 0.79 NPC1 (0.52) NPC1RAB9AALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765764-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2014-07-01 US disclosed
US-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA, INC. (JP) 2013-03-28 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-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 NPC1 2554/4885CASP3 771/4885RAB9A 2257/4885

“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.