SCHEMBL2473649

SCHEMBL2473649

COCc1onc(-c2ccccc2)c1C(=O)CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.49
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42

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
SCHEMBL2473242 0.87 LMNA (0.53) PTGS1GPBAR1PTGS2RAB9APDE3A
SCHEMBL2470830 0.86 PTGS1 (0.54) PTGS1TSHRPOLBALOX15MAPK1
SCHEMBL4971628 0.85 PTGS1 (0.52) PTGS1TSHRPOLBALOX15MAPK1
Hydrochloric Acid SCHEMBL2471767 0.85 PTGS1 (0.52) PTGS1TSHRPOLBALOX15MAPK1
SCHEMBL2473630 0.85 CYP1A1 (0.56) PTGS1TSHRPOLBALOX15MAPK1
SCHEMBL2470848 0.84 PTGS1 (0.66) PTGS1TSHRPOLBALOX15MAPK1
SCHEMBL2471766 0.84 PTGS1 (0.51) PTGS1TSHRPOLBALOX15MAPK1
SCHEMBL1260319 0.79 KMT2A (0.66) TSHRPOLBALOX15MAPK1KMT2A
SCHEMBL2471415 0.75 LMNA (0.53) PTGS1KMT2AMEN1GPBAR1PTGS2
Hydrochloric Acid SCHEMBL2475009 0.74 LMNA (0.52) PTGS1KMT2AMEN1GPBAR1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 PTGS1 2693/4885TSHR 410/4885POLB 4520/4885

“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.