SCHEMBL771022

SCHEMBL771022

O=C(NCCCNC(=O)N1CCCC2CCCCC21)NC1(c2cccs2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
EPHX2 P34913 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
GLS O94925 1/20 0.34
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL770827 0.90 DPP4 (0.38) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL770507 0.88 LMNA (0.37) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL770002 0.86 PRMT5 (0.41) LMNAPOLBGAAGLAALDH1A1
SCHEMBL15386643 0.81 NPC1 (0.35) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL10138743 0.79 GAA (0.49) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL15224217 0.77 LMNA (0.45) LMNAPOLBGAAGLAALDH1A1
SCHEMBL770423 0.73 FKBP1A (0.55) SMN1; SMN2NPC1RAB9APOLBEPHX2
SCHEMBL770828 0.73 MAPT (0.35) SMN1; SMN2RAB9ALMNAPOLBGAA
SCHEMBL15224215 0.73 LMNA (0.45) LMNAPOLBGAAALDH1A1MAPT
SCHEMBL771345 0.72 EPHX2 (0.57) SMN1; SMN2NPC1RAB9ALMNAEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3637/4885NPC1 104/4885RAB9A 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.