SCHEMBL3341896

SCHEMBL3341896

O=C(NCCSSCCNC(=O)c1ccccc1O)c1ccccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
NPC1 O15118 4/20 0.59
HTT P42858 4/20 0.59
HSD17B10 Q99714 2/20 0.59
TSHR P16473 2/20 0.59
NAAA Q02083 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NLRP1 Q9C000 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
MPO P05164 1/20 0.53
HIF1A Q16665 1/20 0.53
ALOX5 P09917 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
ESRRG P62508 1/20 0.52

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
SCHEMBL13016551 0.94 NPC1 (0.54) HPGDNPC1HTTHSD17B10TSHR
SCHEMBL1657777 0.94 HPGD (0.57) HPGDNPC1HTTHSD17B10TSHR
SCHEMBL1657299 0.92 NPC1 (0.52) HPGDNPC1HTTHSD17B10TSHR
SCHEMBL31119120 0.87 HTT (0.69) HPGDNPC1HTTHSD17B10TSHR
SCHEMBL31119121 0.87 HTT (0.69) HPGDNPC1HTTHSD17B10TSHR
SCHEMBL5707054 0.87 HTT (0.69) HPGDNPC1HTTHSD17B10TSHR
SCHEMBL14839382 0.86 NAAA (0.60) HPGDNPC1HTTHSD17B10TSHR
SCHEMBL15962254 0.86 NPC1 (0.56) HPGDNPC1HTTHSD17B10TSHR
SCHEMBL13772638 0.86 KMT2A (0.48) HPGDNPC1HTTHSD17B10TSHR
SCHEMBL13018295 0.86 KMT2A (0.51) HPGDNPC1HTTHSD17B10TSHR

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-20100143274-A1 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS CIBA CORPORATION (US) 2010-06-10 US disclosed
EP-2120846-A2 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS BASF SE (DE) 2009-11-25 EP disclosed
WO-2008107347-A2 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS BASF SE (CH) 2008-09-12 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-20100143274-A1 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS MAOA, MAOB, ACMSD HPGD 814/4885NPC1 2036/4885HTT 1102/4885

“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.