SCHEMBL417395

SCHEMBL417395

CNCc1ccccc1-c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.49
LTA4H P09960 1/20 0.47
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MAPT P10636 6/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
PDE9A O76083 1/20 0.38
POLB P06746 4/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 5/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CASP6 P55212 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL31019009 0.77 PTGES2 (0.40) PRMT6LTA4HMAPTPOLBKDM4E
SCHEMBL30038773 0.76 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BMAPTPDE9A
SCHEMBL28311859 0.76 PTPN1 (0.42) PRMT6MAPTPOLBKDM4EMEN1
SCHEMBL28546393 0.76 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BMAPTPDE9A
SCHEMBL477452 0.76 MAPT (0.46) ADRA1AADRA1BMAPTOPRM1OPRD1
SCHEMBL11281731 0.76 MAOB (0.39) ADRA1DADRA1AADRA1BMAPTOPRM1
SCHEMBL110763 0.76 DPP4 (0.50) MAPTPOLBLMNAKDM4EMEN1
SCHEMBL9454470 0.76 ALDH1A1 (0.39) ADRA1DADRA1AADRA1BMAPTOPRM1
SCHEMBL7430432 0.76 ALDH1A1 (0.39) ADRA1DADRA1AADRA1BMAPTOPRM1
SCHEMBL27200649 0.74 PTGES2 (0.43) PRMT6

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 PRMT6 1705/4885LTA4H 3398/4885ADRA1D 1795/4885

“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.