SCHEMBL770908

SCHEMBL770908

O=C(NCCCNC(=S)NCc1ccccc1)N1CCCC2CCCCC21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EPHX2 P34913 2/20 0.51
HRH3 Q9Y5N1 2/20 0.49
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL770423 0.89 FKBP1A (0.55) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL770684 0.87 FKBP1A (0.48) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL771517 0.86 FKBP1A (0.54) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL770950 0.86 NPC1 (0.66) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL770953 0.86 ALOX12 (0.48) FKBP1ANPC1RAB9ASMN1; SMN2HRH3
SCHEMBL770096 0.83 NPC1 (0.55) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL771221 0.83 KDM1A (0.51) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL770354 0.82 HRH3 (0.48) FKBP1AHRH3ALDH1A1ALOX12
SCHEMBL770739 0.80 HRH3 (0.45) NPC1RAB9ASMN1; SMN2EPHX2HRH3
SCHEMBL15386644 0.80 NPC1 (0.41) NPC1RAB9ASMN1; SMN2EPHX2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
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 (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 FKBP1A 359/4885NPC1 97/4885RAB9A 2187/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 FKBP1A 354/4885NPC1 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.