SCHEMBL5142332

SCHEMBL5142332

O=C(O)c1ccc(Nc2cc[c]cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK13 O15264 1/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ MAPK11 Q15759 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HK1 P19367 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ CDC25B P30305 1/20 0.47
▸ CDC25C P30307 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HKDC1 Q2TB90 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL251773 0.87 TSHR (0.67) TP53TSHRMAPK13MAPK12MAPK11
SCHEMBL8727096 0.82 ROCK1 (0.46) TSHRMAPK13MAPK12MAPK11MAPK14
4-Phenylamino Benzoic Acid SCHEMBL70190 0.80 MAPK13 (0.72) TP53TSHRMAPK13MAPK12MAPK11
SCHEMBL9479471 0.80 MAPK13 (0.72) TP53TSHRMAPK13MAPK12MAPK11
SCHEMBL5142231 0.80 RHOA (0.61) NPC1KMT2ARAB9AMAPTMEN1
SCHEMBL20583 0.79 — —
SCHEMBL8070391 0.79 TSHR (0.61) TP53TSHRSMN1; SMN2SRD5A2ALDH1A1
SCHEMBL2127845 0.78 TYR (0.73) TP53TSHRMAPK13MAPK12MAPK11
SCHEMBL29124318 0.77 TSHR (0.58) TP53TSHRSMN1; SMN2SRD5A2ALDH1A1
SCHEMBL28987694 0.77 TSHR (0.58) TP53TSHRSMN1; SMN2SRD5A2ALDH1A1

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-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
US-4040840-A MEROCYANINE DYE HAVING ISOXAZOLE NUCLEUS AND PYRAZOLINE-5-ONE NUCLEUSN FUJI PHOTO FILM CO., LTD. (JA) 1977-08-09 — — US 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 TP53 4636/4885TSHR 165/4885MAPK13 2608/4885

“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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