SCHEMBL1249034

SCHEMBL1249034

CC(=O)Nc1ccc(-c2nc3ccc(C(=O)Nc4cccc(Cl)c4)cc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 3/20 0.71
HPGD P15428 3/20 0.71
MEN1 O00255 2/20 0.71
TP53 P04637 2/20 0.71
KMT2A Q03164 2/20 0.71
HSD17B10 Q99714 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
CHEK2 O96017 2/20 0.64
POLB P06746 1/20 0.63
DGAT1 O75907 2/20 0.62
NR2E3 Q9Y5X4 5/20 0.61
KDR P35968 2/20 0.61
PRSS12 P56730 1/20 0.59
MMP2 P08253 2/20 0.58
MMP9 P14780 2/20 0.58
MMP8 P22894 2/20 0.58
MMP13 P45452 2/20 0.58
GAA P10253 1/20 0.57
HPSE Q9Y251 1/20 0.56

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
SCHEMBL1249179 0.91 CHEK2 (0.70) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL1250180 0.89 CHEK2 (0.66) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL1250057 0.88 ATM (0.66) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL1249315 0.87 MEN1 (0.66) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL1250299 0.87 HDAC6 (0.67) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL30667663 0.86 ALDH1A1 (0.72) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL12296724 0.86 ALDH1A1 (0.72) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL1250932 0.85 CHEK2 (0.57) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL27202537 0.84 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL1249380 0.83 DGAT1 (0.67) KDM4EALDH1A1HPGDMEN1TP53

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-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 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-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 KDM4E 4129/4885ALDH1A1 44/4885HPGD 3538/4885

“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.