SCHEMBL770739

SCHEMBL770739

O=C(NCCCNC(=S)NCC1CCCCC1)N1CCCC2CCCCC21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 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
SCHEMBL15386644 0.91 NPC1 (0.41) HRH3SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL771277 0.88 HRH3 (0.40) HRH3SMN1; SMN2NPC1RAB9ACA12
SCHEMBL770887 0.87 HRH3 (0.39) HRH3SMN1; SMN2NPC1RAB9ACA12
SCHEMBL771019 0.85 HRH3 (0.41) HRH3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL770097 0.84 KMT2A (0.48) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL770704 0.83 KMT2A (0.49) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL771320 0.81 NPC1 (0.41) SMN1; SMN2NPC1RAB9AEPHX2ALDH1A1
SCHEMBL770908 0.80 FKBP1A (0.53) HRH3SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL770251 0.79 KDM4E (0.41) HRH3SMN1; SMN2CA12CA1CA2
SCHEMBL772280 0.78 NPC1 (0.48) SMN1; SMN2NPC1RAB9AEPHX2

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-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

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 HRH3 1687/4885SMN1; SMN2 3653/4885NPC1 97/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HRH3 1698/4885SMN1; SMN2 3637/4885NPC1 104/4885

“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.