SCHEMBL4603913

SCHEMBL4603913

COC(=O)c1ccc2c(C(=O)c3c(-c4cccc(F)c4)noc3C)cn(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.47
RORC P51449 5/20 0.45
ALDH1A1 P00352 3/20 0.42
NR4A2 P43354 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DGAT2 Q96PD7 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
FGFR1 P11362 1/20 0.38

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
SCHEMBL4605736 0.92 RORC (0.52) RORCALDH1A1GPBAR1GAATSHR
SCHEMBL4605164 0.88 GABRA5 (0.49) GABRA5ALDH1A1GPBAR1GAATSHR
SCHEMBL4605119 0.86 RORC (0.44) GABRA5RORCALDH1A1GPBAR1GAA
SCHEMBL4983934 0.85 GABRA5 (0.48) GABRA5RORCDGAT2
SCHEMBL4979240 0.85 GABRA5 (0.53) GABRA5RORCALDH1A1KDM4EKMT2A
SCHEMBL27739453 0.85 GPBAR1 (0.43) RORCALDH1A1GPBAR1GAATSHR
SCHEMBL4979626 0.84 GABRA5 (0.52) GABRA5DGAT2
SCHEMBL4979697 0.84 TSHR (0.53) GABRA5ALDH1A1GAATSHRKDM4E
SCHEMBL4605598 0.80 GPBAR1 (0.45) GABRA5RORCALDH1A1GPBAR1GAA
SCHEMBL4605621 0.79 GABRA5 (0.50) GABRA5ALDH1A1NR4A2GPBAR1GAA

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-1937674-A1 ISOXAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
WO-2007042420-A1 ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. 2007-04-12 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-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives GABRA5, GABRA4, CHRNA5 GABRA5 1/4885RORC 169/4885ALDH1A1 297/4885

“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.