SCHEMBL4979472

SCHEMBL4979472

Cc1onc(-c2cccc(F)c2)c1C(=O)c1cn(C)c2cc(C(=O)NCc3ccco3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.48
ALDH1A1 P00352 5/20 0.47
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 7/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 1/20 0.41
GAA P10253 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
SCHEMBL4979697 0.90 TSHR (0.53) TSHRHPGDALDH1A1ALOX15HSD17B10
SCHEMBL4981132 0.86 GABRA5 (0.41) TSHRALDH1A1LMNAMAPTKDM4E
SCHEMBL4981836 0.85 GABRA5 (0.55) GABRA5NPSR1
SCHEMBL14188863 0.84 TSHR (0.52) TSHRHPGDALDH1A1ALOX15HSD17B10
SCHEMBL4605598 0.83 GPBAR1 (0.45) TSHRALDH1A1LMNAMAPTKDM4E
SCHEMBL4979497 0.83 ALDH1A1 (0.49) TSHRHPGDALDH1A1POLBKMT2A
SCHEMBL4605164 0.82 GABRA5 (0.49) TSHRHPGDALDH1A1HSD17B10LMNA
SCHEMBL4981211 0.81 GABRA5 (0.51) KMT2AGABRA5
SCHEMBL14188877 0.80 GABRA5 (0.54) GABRA5
SCHEMBL13842502 0.78 HTT (0.61) TSHRHPGDALDH1A1ALOX15HSD17B10

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 TSHR 616/4885HPGD 2253/4885ALDH1A1 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.