SCHEMBL12374641

SCHEMBL12374641

COC(=O)c1c(-c2ccccc2)noc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 1.00
LMNA P02545 5/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 2/20 0.52
PTBP1 P26599 1/20 0.52
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
POLB P06746 2/20 0.49
TSHR P16473 2/20 0.49
CRHBP P24387 1/20 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
SCHEMBL22570862 0.85 PTGS1 (0.73) PTGS1LMNAALDH1A1KDM4EGAA
SCHEMBL4683450 0.84 PTGS1 (0.73) PTGS1LMNAALDH1A1KDM4EHPGD
SCHEMBL2568217 0.84 PTGS1 (0.73) PTGS1LMNARAB9AALDH1A1KDM4E
SCHEMBL16502243 0.84 PTGS1 (0.73) PTGS1LMNAALDH1A1KDM4EHPGD
SCHEMBL31526266 0.84 PTGS1 (0.72) PTGS1LMNARAB9AALDH1A1KDM4E
SCHEMBL12997955 0.83 LMNA (0.74) PTGS1LMNARAB9AALDH1A1KDM4E
SCHEMBL2570798 0.83 PTGS1 (0.71) PTGS1LMNARAB9AALDH1A1KDM4E
SCHEMBL12374640 0.83 PTGS1 (1.00) PTGS1LMNAALDH1A1KDM4EHPGD
SCHEMBL13438 0.82 PTGS1 (0.69) PTGS1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL2281353 0.82 PTGS1 (0.69) PTGS1ALDH1A1SMN1; SMN2TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989450-B2 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-08-02 US disclosed
US-20090181970-A1 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2009-07-16 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-20090181970-A1 Functionalized diarylisoxazoles inhibitors of ciclooxygenase PTGIS, ALOX5, ALOX15 PTGS1 4/4885LMNA 3525/4885RAB9A 4628/4885

“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.