SCHEMBL2471701

SCHEMBL2471701

Cc1onc(-c2ccc(F)cc2)c1C(=O)CBr

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.54
LMNA P02545 3/20 0.52
BACE1 P56817 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
PTGS2 P35354 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
GABRA5 P31644 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2472330 0.87 RAB9A (0.53) GPBAR1KMT2AGAAMEN1KDM4E
SCHEMBL1260319 0.85 KMT2A (0.66) KMT2AGAAMEN1ALDH1A1TSHR
SCHEMBL2472321 0.85 KMT2A (0.47) GPBAR1BACE1KMT2AGAAMEN1
SCHEMBL2472816 0.84 GPBAR1 (0.57) GPBAR1KMT2AGAAMEN1ALDH1A1
SCHEMBL27913634 0.83 GPBAR1 (0.60) GPBAR1LMNABACE1KMT2AGAA
SCHEMBL457706 0.82 GPBAR1 (0.59) GPBAR1LMNABACE1KMT2AGAA
SCHEMBL2475844 0.82 GPBAR1 (0.59) GPBAR1LMNABACE1KMT2AGAA
SCHEMBL3068021 0.81 GPBAR1 (0.61) GPBAR1LMNABACE1KMT2AGAA
Hydrochloric Acid SCHEMBL3981907 0.81 GPBAR1 (0.57) GPBAR1LMNABACE1KMT2AGAA
SCHEMBL4718673 0.81 KMT2A (0.72) GPBAR1LMNABACE1KMT2AGAA

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 4 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
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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 (2 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 GPBAR1 184/4885LMNA 4287/4885BACE1 113/4885
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 GPBAR1 2708/4885LMNA 4135/4885BACE1 1540/4885

“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.