SCHEMBL16935201

SCHEMBL16935201

CCCCSCCNCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM2 P08172 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
NPY1R P25929 1/20 0.31
NPY5R Q15761 1/20 0.31

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
SCHEMBL16935302 0.94 SIGMAR1 (0.40) SIGMAR1LMNAHTTRECQLALDH1A1
SCHEMBL19206327 0.86 METAP2 (0.33) SIGMAR1DRD2DRD4
SCHEMBL19206364 0.84 METAP2 (0.33) SIGMAR1DRD2DRD4
Hydrochloric Acid SCHEMBL19206340 0.84 METAP2 (0.33) SIGMAR1DRD2DRD4
SCHEMBL19206349 0.81 METAP2 (0.31)
SCHEMBL19933254 0.80 SIGMAR1 (0.39) SIGMAR1DRD2DRD4
SCHEMBL16935382 0.79 VEGFA (0.35) SIGMAR1CHRM2DRD2DRD4
SCHEMBL19206351 0.78
SCHEMBL17346103 0.78 ALDH1A1 (0.45) LMNAHTTALDH1A1MAPTPKM
SCHEMBL951191 0.78 SIGMAR1 (0.39) SIGMAR1MAPTCHRM2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544179-B2 Organic compounds GIVAUDAN S.A. (CH) 2020-01-28 US disclosed
US-10544179-B2 Organic compounds GIVAUDAN S.A. (CH) 2020-01-28 US disclosed
EP-3097067-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-17 EP disclosed
EP-3097067-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-17 EP disclosed
US-10196414-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-02-05 US disclosed
US-20180066003-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-03-08 US disclosed
US-20180066003-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-03-08 US disclosed
EP-3097067-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan S.A. (CH) 2016-11-30 EP disclosed
US-20160326199-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-11-10 US disclosed
US-20160326199-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-11-10 US disclosed
WO-2015110515-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2015-07-30 WO 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 (4 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-20160326199-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS PSPH, AS3MT, TST SIGMAR1 567/4885LMNA 4607/4885HTT 561/4885
US-10196414-B2 Organic compounds SOST, TST, MPST SIGMAR1 341/4885LMNA 4678/4885HTT 1066/4885
US-20180066003-A1 ORGANIC COMPOUNDS SOST, TST, MPST SIGMAR1 341/4885LMNA 4678/4885HTT 1066/4885
US-10544179-B2 Organic compounds SOST, TST, MPST SIGMAR1 341/4885LMNA 4678/4885HTT 1066/4885

“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.