SCHEMBL770825

SCHEMBL770825

O=C(NCCCNC(=S)NC1CCCC1)N1CCC2CCCCC2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.44
GAA P10253 1/20 0.41
QPCT Q16769 1/20 0.41
NPC1 O15118 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL770936 0.86 EPHX1 (0.51) ALDH1A1GAAKDM4E
SCHEMBL770701 0.86 EPHX1 (0.51) ALDH1A1GAAKDM4E
SCHEMBL772451 0.85 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL771785 0.84 SMN1; SMN2 (0.47) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL770005 0.83 HDAC4 (0.37) KMT2AMEN1LMNASMN1; SMN2QPCT
SCHEMBL770251 0.83 KDM4E (0.41) LMNAALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL770475 0.81 CYP3A4 (0.41) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL772095 0.80 EPHX2 (0.58) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL771341 0.80 PKM (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL770881 0.79 TPSAB1 (0.48) LMNA

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 KMT2A 3868/4885MEN1 827/4885LMNA 3155/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KMT2A 3893/4885MEN1 823/4885LMNA 3116/4885

“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.