SCHEMBL19083763

SCHEMBL19083763

CCCCC(CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)NCC(=O)O)cc3OC)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
NR1H4 Q96RI1 2/20 0.57
TSHR P16473 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PPARG P37231 1/20 0.41
NOX1 Q9Y5S8 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 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
SCHEMBL8998273 0.90 EPHX2 (0.66) EPHX2NR1H4TSHRNOX1LMNA
SCHEMBL19075697 0.90 LMNA (0.46) EPHX2NR1H4PPARGLMNAMEN1
SCHEMBL10561346 0.89 EPHX2 (0.57) EPHX2NR1H4TSHRHDAC3HDAC6
SCHEMBL9491290 0.88 EPHX2 (0.55) EPHX2NR1H4TSHRHDAC3HDAC4
SCHEMBL19083765 0.86 EPHX2 (0.53) EPHX2NR1H4TSHRHDAC3HDAC4
SCHEMBL9479093 0.86 EPHX2 (0.53) EPHX2NR1H4PPARG
SCHEMBL9478351 0.85 EPHX2 (0.52) EPHX2NR1H4TSHRHDAC3HDAC4
SCHEMBL9479106 0.84 EPHX2 (0.51) EPHX2NR1H4LMNAMEN1MAPT
SCHEMBL8998208 0.83 EPHX2 (0.51) EPHX2NR1H4TSHRNOX1LMNA
SCHEMBL9479575 0.83 EPHX2 (0.49) EPHX2NR1H4TSHRHDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 EPHX2 952/4885NR1H4 529/4885TSHR 475/4885

“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.