SCHEMBL3204056

SCHEMBL3204056

CCNC(=O)NCc1cccc(-c2ccc(C(C)(C)CCCNC(=O)c3cccnc3)cc2OCOC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
RAB9A P51151 1/20 0.43
PTAFR P25105 6/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPID Q08752 1/20 0.40
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3190195 0.88 CNR1 (0.50) RAB9APTAFRKMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL3194128 0.87 CNR1 (0.49) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL3193046 0.81 EGFR (0.40) EGFRPPIDROCK2ROCK1
SCHEMBL3193038 0.81 EGFR (0.40) EGFRPPIDROCK2ROCK1
SCHEMBL3189069 0.79 RAB9A (0.53) RAB9AKMT2AMEN1TDP1MAPK1
SCHEMBL3187319 0.78 CNR1 (0.41) PPIDROCK2ROCK1ALDH1A1
SCHEMBL13454080 0.74 PTAFR (0.45) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL3189086 0.72 CNR1 (0.45) PPID
SCHEMBL3194373 0.71 CNR1 (0.46) EGFRPPID
SCHEMBL13454414 0.71 EGFR (0.52) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-20060074086-A1 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2006-04-06 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 (2 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-20060074086-A1 Phenyl derivatives and methods of use CNR2, CNR1, GPR119 EGFR 2460/4885RAB9A 2079/4885PTAFR 225/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 EGFR 2460/4885RAB9A 2079/4885PTAFR 225/4885

“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.