SCHEMBL5857091

SCHEMBL5857091

CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.63
▸ MEN1 O00255 5/20 0.63
▸ LMNA P02545 2/20 0.63
▸ POLB P06746 2/20 0.63
▸ GAA P10253 3/20 0.62
▸ PKM P14618 1/20 0.62
▸ MAPT P10636 8/20 0.57
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ ALDH3A1 P30838 1/20 0.53
▸ MTNR1A P48039 1/20 0.52
▸ MTNR1B P49286 1/20 0.52
▸ HTT P42858 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MYOC Q99972 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ESRRA P11474 1/20 0.48

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
SCHEMBL11831461 0.87 MEN1 (0.53) KMT2AMEN1LMNAPOLBGAA
SCHEMBL31171019 0.84 HTT (0.61) KMT2AMEN1LMNAPOLBGAA
SCHEMBL358946 0.84 HTT (0.61) KMT2AMEN1LMNAPOLBGAA
SCHEMBL5352381 0.84 MAPT (0.64) KMT2AMEN1LMNAPOLBGAA
SCHEMBL9192519 0.81 MAPK1 (0.62) KMT2AMEN1LMNAMAPTHTT
SCHEMBL27395754 0.80 MAPT (0.65) LMNAPOLBGAAMAPTHTT
SCHEMBL2968268 0.80 MEN1 (0.67) KMT2AMEN1LMNAPOLBGAA
SCHEMBL6348399 0.79 PDE7A (0.60) KMT2AMEN1LMNAPOLBGAA
SCHEMBL6349009 0.79 KMT2A (0.64) KMT2AMEN1LMNAGAAPKM
SCHEMBL9367406 0.79 KMT2A (0.77) KMT2AMEN1LMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030123-B2 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2006-04-18 — — US disclosed
US-20030216356-A1 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2003-11-20 — — US disclosed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 — — EP disclosed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 — — 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-20030216356-A1 Indole derivatives with vascular damaging activity IDO1, IDO2, VEGFA KMT2A 1766/4885MEN1 3191/4885LMNA 4496/4885

“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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