SCHEMBL416672

SCHEMBL416672

COc1ccc(F)cc1CN(C)C(=O)CCCn1ccc2c(C#N)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.42
NR3C2 P08235 3/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
HTR6 P50406 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.38
TNF P01375 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PGR P06401 2/20 0.37

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
SCHEMBL417909 0.81 NPC1 (0.39) NR3C1NR3C2BCHEACHEHTR6
SCHEMBL416248 0.80 NPC1 (0.43) BCHEACHETNFNPC1CHRM2
SCHEMBL417880 0.78 NPC1 (0.47) LMNANPC1RXFP1
SCHEMBL418373 0.76 NPC1 (0.41) LMNAMAPK1BCHEACHETNF
SCHEMBL414591 0.76 NPC1 (0.41) MAPTBCHEACHETNFMEN1
SCHEMBL414541 0.76 POLB (0.41) MAPTLMNABCHEACHEMEN1
SCHEMBL416574 0.76 TNF (0.39) MAPK1BCHEACHETNFCHRM2
SCHEMBL402848 0.73 MAPT (0.56) MAPTLMNAHTTTNF
SCHEMBL418623 0.72 STAT3 (0.50) NR3C1NR3C2MAPTTSHRHTT
SCHEMBL414385 0.70 PLA2G7 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 NR3C1 2168/4885NR3C2 3113/4885MAPT 3216/4885

“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.