SCHEMBL3972797

SCHEMBL3972797

Cc1c(C)n(CO)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 8/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
ALOX15 P16050 2/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
IDO1 P14902 1/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 2/20 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
SCHEMBL6380022 0.85 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2ALOX15LMNA
SCHEMBL11287159 0.82 KDM4E (0.59) ALDH1A1KDM4ESMN1; SMN2ALOX15LMNA
SCHEMBL3972794 0.80 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2ALOX15LMNA
SCHEMBL10053035 0.78 KDM4E (0.65) ALDH1A1KDM4EALOX15LMNAHSD17B10
SCHEMBL29868746 0.78 CYP1A2 (0.64) ALDH1A1KDM4EHDAC6MEN1KMT2A
SCHEMBL151036 0.78 CYP1A2 (0.64) ALDH1A1KDM4EHDAC6MEN1KMT2A
SCHEMBL14448728 0.78 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2ALOX15LMNA
SCHEMBL11601199 0.78 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2HDAC3HDAC1
SCHEMBL15570508 0.78 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2ALOX15LMNA
SCHEMBL11289374 0.77 CYP19A1 (0.66) ALDH1A1KDM4ESMN1; SMN2ALOX15LMNA

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-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 ALDH1A1 839/4885KDM4E 2397/4885SMN1; SMN2 3011/4885

“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.