SCHEMBL416378

SCHEMBL416378

O=C(O)CCCn1ccc2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
EPHX2 P34913 1/20 0.49
NTSR1 P30989 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 2/20 0.47
KMO O15229 2/20 0.47
FFAR4 Q5NUL3 1/20 0.46
KRAS P01116 1/20 0.45
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
OXER1 Q8TDS5 1/20 0.44
MCL1 Q07820 3/20 0.43
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42
FABP3 P05413 1/20 0.41
FABP2 P12104 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41

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
SCHEMBL19100386 0.91 KMO (0.56) NTSR1HTR2AHTR2CHTR7KMO
SCHEMBL29758270 0.91 KMO (0.56) NTSR1HTR2AHTR2CHTR7KMO
SCHEMBL7258387 0.88 KMO (0.57) HTR7KMOOXER1MCL1
SCHEMBL27587769 0.84 ALOX5 (0.50) ALOX5EPHX2KMOFFAR4PLG
SCHEMBL418370 0.82 P2RX7 (0.50) ALOX5EPHX2HTR2AHTR2CKMO
SCHEMBL416786 0.82 KMO (0.65) ALOX5EPHX2HTR2AHTR2CKMO
SCHEMBL418013 0.81 KMT2A (0.60) NTSR1HTR2AHTR2CHTR7KRAS
SCHEMBL31238628 0.80 NTSR1 (0.56) NTSR1HTR2AHTR2CKRAS
SCHEMBL413159 0.79 FFAR4 (0.55) ALOX5EPHX2KMOFFAR4PLG
SCHEMBL26684010 0.79 KMO (0.68) HTR7KMOMCL1

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 ALOX5 3509/4885EPHX2 3548/4885NTSR1 4457/4885

“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.