SCHEMBL3318166

SCHEMBL3318166

O=C(NCCc1cccs1)C1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.63
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
TAAR1 Q96RJ0 1/20 0.58
HDAC4 P56524 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.47
METAP2 P50579 3/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ADAM17 P78536 1/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29273913 0.89 SMN1; SMN2 (0.63) HSD11B1NPC1RAB9ATAAR1HDAC4
SCHEMBL3325060 0.88 HSD11B1 (0.62) HSD11B1NPC1RAB9AHDAC4SMN1; SMN2
SCHEMBL14491572 0.87 SMN1; SMN2 (0.57) HSD11B1NPC1RAB9ATAAR1SMN1; SMN2
SCHEMBL5351676 0.81 HDAC4 (0.61) HSD11B1HDAC4SMN1; SMN2HTTMAPT
SCHEMBL3323891 0.78 HSD11B1 (0.83) HSD11B1NPC1RAB9ATAAR1HDAC4
SCHEMBL5350234 0.78 SMN1; SMN2 (0.64) NPC1RAB9ATAAR1HDAC4SMN1; SMN2
SCHEMBL3322440 0.77 HSD11B1 (1.00) HSD11B1NPC1RAB9ATAAR1HDAC4
SCHEMBL3328484 0.76 HSD11B1 (0.98) HSD11B1HDAC4HTTLMNAMAPT
SCHEMBL3323868 0.76 HSD11B1 (0.59) HSD11B1NPC1RAB9ATAAR1SMN1; SMN2
SCHEMBL5363274 0.76 HDAC4 (0.55) HSD11B1NPC1RAB9AHDAC4SMN1; SMN2

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-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HSD11B1 3/4885NPC1 1106/4885RAB9A 2432/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885NPC1 2474/4885RAB9A 2176/4885

“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.