SCHEMBL772432

SCHEMBL772432

O=C(CNC(=S)NCCC1=CCCCC1)N1CCC2CCCC=C2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.46
LMNA P02545 3/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
ALOX12 P18054 2/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX1 P07099 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 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
SCHEMBL15377565 0.91 ALDH1A1 (0.44) ALDH1A1LMNAPKMNPSR1MAPT
SCHEMBL771410 0.81 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL770476 0.80 ALDH1A1 (0.38) ALDH1A1LMNAPKMMAPTKMT2A
SCHEMBL772431 0.80 ALDH1A1 (0.49) ALDH1A1LMNAPKMNPSR1MAPT
SCHEMBL771342 0.79 ALDH1A1 (0.40) ALDH1A1LMNAPKMMAPTRAB9A
SCHEMBL770590 0.79 HTT (0.37) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL15378203 0.77 EPHX2 (0.40) ALDH1A1LMNANPSR1MAPTRAB9A
SCHEMBL770629 0.75 TACR1 (0.38) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL770201 0.75 PKM (0.46) ALDH1A1LMNAPKMNPSR1MAPT
SCHEMBL772126 0.75 ALDH1A1 (0.36) ALDH1A1LMNANPSR1MEN1KMT2A

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 ALDH1A1 144/4885LMNA 3155/4885PKM 1551/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885LMNA 3116/4885PKM 1554/4885

“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.