SCHEMBL810587

SCHEMBL810587

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.48
▸ MMP9 P14780 7/20 0.48
▸ MMP8 P22894 7/20 0.48
▸ MMP13 P45452 7/20 0.48
▸ CHEK2 O96017 7/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.44
▸ MAP4K4 O95819 1/20 0.42
▸ HPSE Q9Y251 1/20 0.42

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
SCHEMBL1453961 0.75 NAMPT (0.46) TP53MAPT
SCHEMBL19753933 0.74 TP53 (0.61) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL810440 0.73 CHEK2 (0.56) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL30045266 0.72 MAPT (0.51) MMP2MMP9MMP8MMP13TP53
SCHEMBL19739092 0.72 SMN1; SMN2 (0.50) TP53MAPTSMN1; SMN2HPSE
SCHEMBL1455827 0.71 NAMPT (0.47) TP53MAPTSMN1; SMN2
SCHEMBL1454630 0.71 RAB9A (0.47) TP53MAPTSMN1; SMN2
SCHEMBL1455538 0.70 USP2 (0.60) MAPTSMN1; SMN2MAP4K4
SCHEMBL31483499 0.70 ALDH1A1 (0.52) SMN1; SMN2
SCHEMBL14444778 0.69 KDR (0.72) SMN1; SMN2

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 MMP2 3760/4885MMP9 2320/4885MMP8 2227/4885

“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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