SCHEMBL741185

SCHEMBL741185

Cn1nccc1Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.63
CACNA1C Q13936 2/20 0.63
CYP2C9 P11712 1/20 0.63
KMT2A Q03164 2/20 0.51
HDAC3 O15379 5/20 0.46
HDAC4 P56524 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC11 Q96DB2 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46
HDAC5 Q9UQL6 5/20 0.46
EPHX1 P07099 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
CASP1 P29466 3/20 0.44

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
SCHEMBL308867 0.87 EPHX2 (0.71) EPHX2CACNA1CCYP2C9KMT2AHDAC3
SCHEMBL15178387 0.83 KMT2A (0.55) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1815364 0.82 KMT2A (0.54) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL731390 0.82 KMT2A (0.53) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL743411 0.80 EPHX2 (0.59) EPHX2CACNA1CCYP2C9HDAC3HDAC4
SCHEMBL2594364 0.80 KMT2A (0.58) KMT2AHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL308726 0.80 EPHX2 (0.58) EPHX2CACNA1CCYP2C9HDAC3HDAC4
SCHEMBL21467195 0.79 KMT2A (0.59) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3494576 0.79 KMT2A (0.62) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL471290 0.79 KMT2A (0.74) KMT2AHDAC3HDAC4HDAC1HDAC7

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-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 EPHX2 2301/4885CACNA1C 2444/4885CYP2C9 788/4885

“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.