SCHEMBL770704

SCHEMBL770704

O=C(NCCCNC(=S)NC1CCCC1)N1CCCC2CCCCC21

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
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
QPCT Q16769 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.40
HRH2 P25021 1/20 0.39

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
SCHEMBL770097 0.99 KMT2A (0.48) KMT2AMEN1LMNANPSR1SMN1; SMN2
SCHEMBL770863 0.86 EPHX1 (0.51) GAA
SCHEMBL772709 0.86 EPHX1 (0.51) GAA
SCHEMBL768662 0.85 KMT2A (0.47) KMT2AMEN1LMNANPSR1SMN1; SMN2
SCHEMBL771392 0.85 KMT2A (0.47) KMT2AMEN1LMNANPSR1SMN1; SMN2
SCHEMBL770269 0.84 KMT2A (0.46) KMT2AMEN1LMNANPSR1SMN1; SMN2
SCHEMBL770331 0.84 KMT2A (0.43) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL15386644 0.83 NPC1 (0.41) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL770739 0.83 HRH3 (0.45) KMT2ANPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL771320 0.83 NPC1 (0.41) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1

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.