SCHEMBL5207378

SCHEMBL5207378

COc1ccc2[nH]c(C)c(CC(=O)Nc3cc([N+](=O)[O-])ccc3C(=O)O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 3/20 0.55
▸ AKR1C3 P42330 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CTSV O60911 2/20 0.47
▸ CTSL P07711 2/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HDAC1 Q13547 3/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL5214528 0.87 AKR1C2 (0.61) AKR1C2AKR1C3KDM4EMAPTHDAC1
SCHEMBL5208570 0.85 AKR1C2 (0.59) AKR1C2KDM4EMAPTHDAC1MTNR1A
SCHEMBL5208935 0.85 MEN1 (0.62) AKR1C2AKR1C3KDM4EMAPTHDAC1
SCHEMBL5209238 0.85 AKR1C2 (0.59) AKR1C2AKR1C3KDM4EMAPTHDAC1
SCHEMBL5211125 0.84 AKR1C2 (0.58) AKR1C2KDM4EMAPTHDAC1MTNR1A
SCHEMBL5206552 0.84 AKR1C2 (0.63) AKR1C2KDM4EMAPTHDAC1MTNR1A
SCHEMBL5211075 0.83 AKR1C2 (0.56) AKR1C2AKR1C3KDM4EMAPTHDAC1
SCHEMBL5210270 0.82 AKR1C2 (0.60) AKR1C2KDM4EMAPTHDAC1MTNR1A
SCHEMBL5205838 0.81 AKR1C2 (0.61) AKR1C2KDM4EMAPTHDAC1MTNR1A
SCHEMBL5209948 0.79 MAPT (0.62) AKR1C2KDM4EMAPTHDAC1MTNR1A

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
US-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 — — US claimed
US-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 — — US disclosed
EP-1343757-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2007-02-14 — — EP disclosed
US-20040092569-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 2004-05-13 — — US disclosed
EP-1343757-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-09-17 — — EP disclosed
WO-2002050031-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-06-27 — — 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-20040092569-A1 Indole derivatives PTGER4, PTGER1, TRPV4 AKR1C2 1632/4885AKR1C3 1017/4885KDM4E 2032/4885

“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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