SCHEMBL810440

SCHEMBL810440

Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 5/20 0.56
▸ PTGES O14684 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ LTC4S Q16873 1/20 0.50
▸ MMP2 P08253 4/20 0.48
▸ MMP9 P14780 4/20 0.48
▸ MMP8 P22894 4/20 0.48
▸ MMP13 P45452 4/20 0.48
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ SCD O00767 1/20 0.47
▸ PRMT5 O14744 3/20 0.45
▸ HPSE Q9Y251 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL810467 0.84 MAPT (0.52) CHEK2PTGESALOX5LTC4SMMP2
SCHEMBL810353 0.77 KDR (0.42) CHEK2PTGESALOX5LTC4SMMP2
SCHEMBL810595 0.75 MET (0.41) CHEK2PTGESALOX5LTC4SMMP2
SCHEMBL17973888 0.74 CHEK2 (0.67) CHEK2PTGESALOX5LTC4SSCD
SCHEMBL810587 0.73 MMP2 (0.48) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL12470982 0.73 PRMT5 (0.70) CHEK2PTGESALOX5LTC4SPRMT5
SCHEMBL7652411 0.72 MMP13 (0.73) MMP2MMP9MMP8MMP13TRPV1
SCHEMBL31289493 0.71 CHEK2 (0.61) CHEK2PTGESALOX5LTC4SPRMT5
SCHEMBL484162 0.71 CHEK2 (0.57) CHEK2PTGESALOX5LTC4SSCD
SCHEMBL15288339 0.69 MMP13 (0.71) CHEK2MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 — — EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 — — EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 — — US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 — — EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 — — US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 — — 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CHEK2 4511/4885PTGES 1433/4885ALOX5 2999/4885

“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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