SCHEMBL3221276

SCHEMBL3221276

CC1CCN(CCCC(NC(=O)Nc2ccc(F)c(F)c2)c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MET P08581 14/20 0.38
P2RX3 P56373 1/20 0.37
MCHR1 Q99705 1/20 0.36
EPHX2 P34913 1/20 0.36
CCR3 P51677 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL3225124 0.93 LMNA (0.40) METP2RX3MCHR1EPHX2
SCHEMBL3235363 0.91 CCR5 (0.38) MEN1KMT2AMCHR1
SCHEMBL3225953 0.89 EPHX2 (0.45) EPHX2
SCHEMBL3234395 0.88 LMNA (0.41) METP2RX3MCHR1EPHX2
SCHEMBL3223625 0.86 EPHX2 (0.42) EPHX2
SCHEMBL3229630 0.86 EPHX2 (0.42) EPHX2
SCHEMBL4376286 0.85 METAP1 (0.44) MEN1KMT2A
SCHEMBL3223631 0.84 ALDH1A1 (0.41) METMCHR1EPHX2
SCHEMBL3228203 0.84 SIGMAR1 (0.40) CCR3
SCHEMBL3223205 0.83 TMEM97 (0.39) P2RX3

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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 MEN1 3719/4885KMT2A 305/4885MET 2507/4885

“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.