SCHEMBL770354

SCHEMBL770354

O=C(NCCCNC(=S)NCc1ccccc1)N1CCC2CCCCC2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
FKBP1A P62942 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL770274 0.89 KEAP1 (0.52) HRH3KMT2ANPSR1MEN1KEAP1
SCHEMBL770384 0.86 HRH3 (0.52) HRH3KMT2ANPSR1MEN1FKBP1A
SCHEMBL770386 0.84 HRH3 (0.54) HRH3KMT2ANPSR1MEN1HDAC3
SCHEMBL770908 0.82 FKBP1A (0.53) HRH3ALDH1A1ALOX12FKBP1A
SCHEMBL771000 0.80 CCR3 (0.49) KMT2ANPSR1MEN1ALDH1A1HDAC1
SCHEMBL770251 0.79 KDM4E (0.41) HRH3ALDH1A1ALOX12KEAP1NFE2L2
SCHEMBL770438 0.79 NAMPT (0.62) FKBP1A
SCHEMBL770746 0.79 NAMPT (0.57) FKBP1A
SCHEMBL770878 0.79 NAMPT (0.52) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL770825 0.78 KMT2A (0.49) KMT2AMEN1ALDH1A1ALOX12KEAP1

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 HRH3 1698/4885KMT2A 3893/4885NPSR1 1896/4885

“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.