SCHEMBL2470922

SCHEMBL2470922

Cc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCc3ccco3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 3/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 4/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
GABRA5 P31644 7/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
ESR1 P03372 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2471716 0.86 GABRA5 (0.45) GABRA5SMN1; SMN2
SCHEMBL2473623 0.86 SMN1; SMN2 (0.49) HPGDALDH1A1TSHRPOLBNPC1
SCHEMBL2473668 0.85 GABRA5 (0.44) GABRA5
SCHEMBL2471891 0.85 ALDH1A1 (0.49) ALDH1A1TSHRPOLBNPC1GABRA5
SCHEMBL2470562 0.84 GABRA5 (0.59) GABRA5
SCHEMBL2469086 0.83 NPC1 (0.45) HPGDALDH1A1TSHRPOLBNPC1
SCHEMBL2477300 0.82 GABRA5 (0.43) GABRA5
SCHEMBL2470769 0.82 GABRA5 (0.43) GABRA5
SCHEMBL4973043 0.82 HPGD (0.48) HPGDALDH1A1ALOX15TSHRPOLB
SCHEMBL2472945 0.81 GABRA5 (0.56) GABRA5MAPTRAB9A

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-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
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 HPGD 3378/4885ALDH1A1 252/4885ALOX15 1932/4885

“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.