SCHEMBL299746

SCHEMBL299746

C=C(C)C(=O)NCCSC(CC)(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
OPRM1 P35372 2/20 0.36
CHRM2 P08172 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KIF11 P52732 4/20 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
SCHEMBL720076 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL719664 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL716724 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL717801 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL285278 0.76 POLB (0.40) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL285742 0.76 THRB (0.40) ALDH1A1CHRM2CHRM1CHRM3KIF11
SCHEMBL718250 0.75 POLB (0.40) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL26489483 0.71 MTNR1A (0.46) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL22868138 0.71 KMT2A (0.52) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL718075 0.71 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B

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-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
EP-2427509-A1 POLYMER COMPOSITION Contamac Limited (GB) 2012-03-14 EP disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US disclosed
WO-2010128266-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2010-11-11 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 (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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ NPC1 4414/4885RAB9A 3204/4885SMN1; SMN2 4542/4885

“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.