SCHEMBL770687

SCHEMBL770687

O=C(CCCNC(=S)NCCC1=CCCCC1)N1CCCC2CCCC=C21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
ALDH1A1 P00352 13/20 0.45
RAB9A P51151 6/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX12 P18054 2/20 0.43
EPHX1 P07099 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL772561 0.97 PKM (0.44) PKMALDH1A1RAB9ANPSR1MAPT
SCHEMBL770201 0.94 PKM (0.46) PKMALDH1A1RAB9ANPSR1MAPT
SCHEMBL771278 0.82 SMN1; SMN2 (0.34) ALDH1A1MAPTSMN1; SMN2ALOX12HTT
SCHEMBL15377790 0.81 KMT2A (0.43) PKMRAB9ASMN1; SMN2NPC1ALOX12
SCHEMBL770686 0.79 ALDH1A1 (0.48) PKMALDH1A1RAB9ANPSR1MAPT
SCHEMBL770888 0.79 ADAMTS4 (0.35) ALDH1A1MAPTSMN1; SMN2KDM4EALOX12
SCHEMBL771393 0.79 KMT2A (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1ALOX12
SCHEMBL770873 0.78 EPHX2 (0.48) ALDH1A1RAB9ANPSR1MAPTSMN1; SMN2
SCHEMBL15377565 0.78 ALDH1A1 (0.44) PKMALDH1A1RAB9ANPSR1MAPT
SCHEMBL770834 0.78 QPCT (0.33) ALDH1A1RAB9ANPC1KDM4E

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 PKM 1551/4885ALDH1A1 144/4885RAB9A 2187/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 PKM 1554/4885ALDH1A1 142/4885RAB9A 2217/4885

“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.