SCHEMBL13499115

SCHEMBL13499115

Cn1nc(C(=O)O)c(Cl)c1-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
THRB P10828 3/20 0.43
HSD11B1 P28845 2/20 0.43
MEN1 O00255 2/20 0.42
KIF11 P52732 1/20 0.40
ALPL P05186 1/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
CRHR1 P34998 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 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
SCHEMBL12543097 0.79 KMT2A (0.55) KMT2AHSD11B1MEN1CYP1A2CRHR1
SCHEMBL13499106 0.76 LMNA (0.64) THRBHSD11B1ALDH1A1LMNAHPGD
SCHEMBL16144908 0.76 KMT2A (0.35) KMT2ATHRBMEN1ALPLCYP1A2
SCHEMBL20239533 0.75 POLB (0.45) KMT2AHSD11B1MEN1ALPLALDH1A1
SCHEMBL8823116 0.75 HSD11B1 (0.54) KMT2AHSD11B1MEN1
SCHEMBL949842 0.74 ALDH1A1 (0.47) KMT2AHSD11B1HIF1AALDH1A1
SCHEMBL461125 0.72 KMT2A (0.47) KMT2AHSD11B1MEN1ALDH1A1
SCHEMBL31673611 0.72 KMT2A (0.47) KMT2AHSD11B1MEN1ALDH1A1
SCHEMBL13738970 0.71 HSD11B1 (0.49) KMT2AHSD11B1MEN1ALPLCYP1A2
SCHEMBL1940302 0.71 KMT2A (0.64) KMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659408-B2 Pyrazole carboxamides as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 Merck Sharp & Dhome Corp. (US) 2010-02-09 US disclosed
US-7659408-B2 Pyrazole carboxamides as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 Merck Sharp & Dhome Corp. (US) 2010-02-09 US disclosed
US-20080153893-A1 Pyrazole Carboxamides as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-06-26 US disclosed
US-20080153893-A1 Pyrazole Carboxamides as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-06-26 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-20080153893-A1 Pyrazole Carboxamides as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 KMT2A 2227/4885THRB 1258/4885HSD11B1 1/4885

“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.