SCHEMBL771786

SCHEMBL771786

O=C(CCCCNC(=S)NC1CCCCC1)N1CCC2CCCC=C2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
HRH2 P25021 1/20 0.39
GAA P10253 1/20 0.39
QPCT Q16769 1/20 0.39
PKM P14618 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALOX12 P18054 1/20 0.38
CXCR4 P61073 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL772452 0.99 KMT2A (0.40) KMT2ASMN1; SMN2MEN1LMNAHRH2
SCHEMBL771107 0.87 ADAMTS4 (0.36) KMT2AEPHX1
SCHEMBL771342 0.87 ALDH1A1 (0.40) SMN1; SMN2LMNAPKMNPC1RAB9A
SCHEMBL770476 0.86 ALDH1A1 (0.38) KMT2ASMN1; SMN2LMNAPKMNPC1
SCHEMBL787100 0.84 RAB9A (0.34) KMT2ALMNAQPCTNPC1RAB9A
SCHEMBL770013 0.83 ALDH1A1 (0.43) KMT2ASMN1; SMN2MEN1LMNAGAA
SCHEMBL15377462 0.83 EPHX2 (0.49) EPHX1
SCHEMBL15377565 0.82 ALDH1A1 (0.44) KMT2ASMN1; SMN2MEN1LMNAPKM
SCHEMBL770401 0.82 LMNA (0.39) KMT2ASMN1; SMN2MEN1LMNANPC1
SCHEMBL771041 0.81 KDM1A (0.44) SMN1; SMN2LMNA

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-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-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 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 KMT2A 3868/4885SMN1; SMN2 3653/4885MEN1 827/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KMT2A 3893/4885SMN1; SMN2 3637/4885MEN1 823/4885

“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.