SCHEMBL772560

SCHEMBL772560

O=C(CCCCNC(=S)NCCC1=CCCCC1)N1CCCC2CCCCC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX1 P07099 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 3/20 0.43
ALOX12 P18054 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
LMNA P02545 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 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
SCHEMBL770686 0.97 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL770200 0.93 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL15386646 0.92 SMN1; SMN2 (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL10138734 0.88 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL771648 0.86 SMN1; SMN2 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL770191 0.83 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL772561 0.80 PKM (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL770887 0.79 HRH3 (0.39) ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL771392 0.78 KMT2A (0.47) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL770269 0.77 KMT2A (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX1

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
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
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
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 ALDH1A1 144/4885RAB9A 2187/4885NPC1 97/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885RAB9A 2217/4885NPC1 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.