SCHEMBL5142231

SCHEMBL5142231

O=C(O)c1cccc(Nc2cc[c]cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.61
▸ AKR1C3 P42330 6/20 0.60
▸ AKR1C2 P52895 4/20 0.60
▸ CDC25B P30305 7/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ CDC25A P30304 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAP2K7 O14733 1/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CDC25C P30307 1/20 0.50
▸ NPC1 O15118 2/20 0.49

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
3-Phenylamino Benzoic Acid SCHEMBL4345076 0.87 RHOA (0.77) RHOAAKR1C3AKR1C2CDC25BRAB9A
SCHEMBL5142332 0.80 TP53 (0.50) AKR1C3AKR1C2CDC25BRAB9AMAPT
SCHEMBL13280136 0.79 AKR1C3 (0.65) RHOAAKR1C3AKR1C2CDC25BRAB9A
SCHEMBL2424568 0.79 AKR1C3 (0.69) RHOAAKR1C3AKR1C2CDC25BRAB9A
SCHEMBL13280274 0.79 AKR1C3 (0.65) RHOAAKR1C3AKR1C2CDC25BRAB9A
SCHEMBL13280280 0.79 AKR1C3 (0.65) RHOAAKR1C3AKR1C2CDC25BRAB9A
SCHEMBL10567724 0.79 RHOA (0.66) RHOAAKR1C3AKR1C2CDC25BRAB9A
SCHEMBL13465068 0.79 MEN1 (0.61) RHOAAKR1C3AKR1C2CDC25BRAB9A
SCHEMBL5460527 0.78 AKR1C3 (0.67) RHOAAKR1C3AKR1C2CDC25BRAB9A
SCHEMBL9937965 0.77 AKR1C3 (0.55) RHOAAKR1C3AKR1C2CDC25BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423111-A4 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 — — EP disclosed
US-7034046-B2 NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2006-04-25 — — US disclosed
EP-1423111-A1 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS LION Bioscience AG (DE) 2004-06-02 — — EP disclosed
US-20030187042-A1 NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2003-10-02 — — US disclosed
WO-2003015771-A1 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS LION BIOSCIENCE AG (DE) 2003-02-27 — — 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-20030187042-A1 NR1H4 nuclear receptor binding compounds NR1H4, NR1H2, NR1H3 RHOA 4245/4885AKR1C3 566/4885AKR1C2 567/4885

“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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