SCHEMBL770013

SCHEMBL770013

O=C(CCCCNC(=S)Nc1ccccc1)N1CCC2CCCC=C2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 2/20 0.39
LMNA P02545 4/20 0.38
PKM P14618 1/20 0.38
YAP1 P46937 1/20 0.38
TEAD4 Q15561 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 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
SCHEMBL771041 0.86 KDM1A (0.44) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL772452 0.83 KMT2A (0.40) NPC1RAB9AALOX12GAAKMT2A
SCHEMBL771786 0.83 KMT2A (0.41) NPC1RAB9AALOX12GAAKMT2A
SCHEMBL787100 0.83 RAB9A (0.34) ALDH1A1NPC1RAB9AKMT2ANAMPT
SCHEMBL771107 0.82 ADAMTS4 (0.36) KMT2ANAMPTHDAC3HDAC4HDAC1
SCHEMBL15377462 0.81 EPHX2 (0.49) ALDH1A1
SCHEMBL771584 0.81 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL15377565 0.80 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL770401 0.80 LMNA (0.39) ALDH1A1MAPTNPC1TDP1KMT2A
SCHEMBL770365 0.79 BRD4 (0.44) ALDH1A1MAPTNPC1RAB9AKMT2A

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 144/4885MAPT 618/4885NPC1 97/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885MAPT 638/4885NPC1 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.