SCHEMBL771584

SCHEMBL771584

O=C(CCCCNC(=S)Nc1ccccc1)N1CCCC2CCCC=C21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.40
LMNA P02545 4/20 0.39
PKM P14618 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL771340 0.93 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ENPC1ALOX12
SCHEMBL771768 0.90 CCR3 (0.47) ALDH1A1KDM4ERAB9AKMT2ALMNA
SCHEMBL770685 0.87 KEAP1 (0.42) ALDH1A1MAPTALOX12GAAKMT2A
SCHEMBL770425 0.86 KDM1A (0.46) ALDH1A1KMT2AMEN1
SCHEMBL771393 0.83 KMT2A (0.41) ALDH1A1NPC1ALOX12RAB9AGAA
SCHEMBL770222 0.83 MEN1 (0.46) ALDH1A1RAB9AKMT2AMEN1
SCHEMBL770834 0.82 QPCT (0.33) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL770270 0.82 KMT2A (0.42) NPC1ALOX12RAB9AGAAKMT2A
SCHEMBL771634 0.81 KEAP1 (0.48) LMNAFKBP1AHPGD
SCHEMBL770888 0.81 ADAMTS4 (0.35) ALDH1A1MAPTKDM4EALOX12HDAC3

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 618/4885KDM4E 4105/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885MAPT 638/4885KDM4E 4127/4885

“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.