SCHEMBL413159

SCHEMBL413159

N#Cc1ccc2c(ccn2CCCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.55
P2RX7 Q99572 1/20 0.53
ALOX5 P09917 1/20 0.47
EPHX2 P34913 1/20 0.47
KMO O15229 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
NPY5R Q15761 1/20 0.42
CYP19A1 P11511 1/20 0.42
PRMT5 O14744 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
OXER1 Q8TDS5 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
SCHEMBL5487411 0.95 P2RX7 (0.54) FFAR4P2RX7ALOX5EPHX2KMO
SCHEMBL7367613 0.92 KMO (0.52) FFAR4P2RX7KMOKDM4EALDH1A1
SCHEMBL3465527 0.83 KMT2A (0.55) FFAR4P2RX7KDM4EALDH1A1TSHR
SCHEMBL17242442 0.83 P2RX7 (0.54) FFAR4P2RX7KDM4EALDH1A1TSHR
SCHEMBL17242289 0.82 P2RX7 (0.56) FFAR4P2RX7KDM4EALDH1A1TSHR
SCHEMBL4327022 0.81 HDAC1 (0.53) P2RX7KDM4EALDH1A1TSHRHSD17B10
SCHEMBL27587769 0.80 ALOX5 (0.50) FFAR4ALOX5EPHX2KMOPLG
SCHEMBL27726369 0.80 P2RX7 (0.51) FFAR4P2RX7KDM4EALDH1A1TSHR
SCHEMBL416378 0.79 ALOX5 (0.49) FFAR4ALOX5EPHX2KMOPLG
SCHEMBL416786 0.79 KMO (0.65) FFAR4ALOX5EPHX2KMOOXER1

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 FFAR4 3303/4885P2RX7 2354/4885ALOX5 3509/4885

“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.