SCHEMBL5923374

SCHEMBL5923374

COc1cc(OC)nc(NC(=N)NCCc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.45
▸ PLAAT3 P53816 3/20 0.44
▸ PLAAT5 Q96KN8 3/20 0.44
▸ PLAAT2 Q9NWW9 3/20 0.44
▸ PLAAT4 Q9UL19 3/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ LTA4H P09960 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL5923119 0.94 HTT (0.48) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923376 0.86 EPHX2 (0.49) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923231 0.81 SMN1; SMN2 (0.50) ALDH1A1LMNAALOX12TP53GLA
SCHEMBL5923285 0.80 EPHX2 (0.46) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923299 0.79 EPHX2 (0.46) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923323 0.77 EPHX2 (0.43) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6511300 0.76 ADORA2A (0.64) ALDH1A1LMNATP53GLAMAPT
SCHEMBL5923332 0.76 EPHX2 (0.49) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923352 0.76 HTT (0.47) ALDH1A1LMNATP53GLAMAPT
SCHEMBL5923099 0.76 MITF (0.47) ALDH1A1LMNATP53GLAMAPT

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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US claimed
WO-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 — — WO claimed
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — 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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 EPHX2 3096/4885PLAAT3 993/4885PLAAT5 2045/4885

“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.

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