SCHEMBL4979497

SCHEMBL4979497

Cc1onc(-c2cccc(F)c2)c1C(=O)c1cn(C)c2cc(C(=O)NCCN3CCOCC3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CD274 Q9NZQ7 2/20 0.45
POLB P06746 1/20 0.45
HPGDS O60760 1/20 0.45
PARP1 P09874 1/20 0.45
GABRA5 P31644 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM5B Q9UGL1 1/20 0.43

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
SCHEMBL14188877 0.87 GABRA5 (0.54) GABRA5
SCHEMBL14188859 0.86 ALDH1A1 (0.51) ALDH1A1TSHRL3MBTL1CD274POLB
SCHEMBL4981836 0.86 GABRA5 (0.55) GABRA5
SCHEMBL4981132 0.86 GABRA5 (0.41) ALDH1A1TSHRL3MBTL1GABRA5KMT2A
SCHEMBL4981211 0.83 GABRA5 (0.51) HPGDSGABRA5KMT2A
SCHEMBL4979472 0.83 TSHR (0.51) ALDH1A1TSHRL3MBTL1POLBGABRA5
SCHEMBL4605598 0.82 GPBAR1 (0.45) ALDH1A1TSHRL3MBTL1GABRA5KMT2A
SCHEMBL4605164 0.82 GABRA5 (0.49) ALDH1A1TSHRL3MBTL1POLBGABRA5
SCHEMBL13842505 0.80 ALDH1A1 (0.70) ALDH1A1TSHRL3MBTL1POLBCYP2C19
SCHEMBL14188848 0.78 CD274 (0.53) ALDH1A1TSHRCD274POLBHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. 2007-04-12 US 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 ALDH1A1 297/4885TSHR 616/4885L3MBTL1 4288/4885

“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.