SCHEMBL770950

SCHEMBL770950

O=C(NCCCNC(=S)Nc1ccccc1)N1CCCC2CCCCC21

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HSD11B1 P28845 4/20 0.51
GAA P10253 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
FKBP1A P62942 1/20 0.48
HSD17B1 P14061 1/20 0.47
EPHX2 P34913 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
ABAT P80404 1/20 0.42

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
SCHEMBL769682 0.89 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HSD11B1ALDH1A1
SCHEMBL771583 0.87 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2HSD11B1GAA
SCHEMBL770908 0.86 FKBP1A (0.53) NPC1RAB9ASMN1; SMN2HSD11B1ALDH1A1
SCHEMBL771339 0.85 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2HSD11B1GAA
SCHEMBL771221 0.84 KDM1A (0.51) NPC1RAB9ASMN1; SMN2HSD11B1ALDH1A1
SCHEMBL770704 0.80 KMT2A (0.49) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL770097 0.79 KMT2A (0.48) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL770423 0.79 FKBP1A (0.55) NPC1RAB9ASMN1; SMN2HSD11B1ALDH1A1
SCHEMBL770739 0.78 HRH3 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15386644 0.78 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 97/4885RAB9A 2187/4885SMN1; SMN2 3653/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885RAB9A 2217/4885SMN1; SMN2 3637/4885

“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.