SCHEMBL4979697

SCHEMBL4979697

Cc1onc(-c2cccc(F)c2)c1C(=O)c1cn(-c2ccccc2)c2cc(C(=O)NCc3ccco3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.45
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 3/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 6/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
HSD17B10 Q99714 2/20 0.43
RECQL P46063 2/20 0.43
KDM4E B2RXH2 2/20 0.43
APEX1 P27695 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 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
SCHEMBL4979472 0.90 TSHR (0.51) TSHRLMNAHPGDALDH1A1ALOX15
SCHEMBL4605119 0.87 RORC (0.44) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL4979240 0.86 GABRA5 (0.53) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL4605736 0.85 RORC (0.52) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL4603913 0.84 GABRA5 (0.47) TSHRLMNAHPGDALDH1A1MEN1
SCHEMBL4983934 0.82 GABRA5 (0.48) GABRA5
SCHEMBL14188863 0.82 TSHR (0.52) TSHRHPGDALDH1A1ALOX15MAPT
SCHEMBL4979626 0.81 GABRA5 (0.52) GABRA5
SCHEMBL27739453 0.78 GPBAR1 (0.43) TSHRLMNAHPGDALDH1A1ATM
SCHEMBL4981836 0.77 GABRA5 (0.55) NPSR1GABRA5

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 616/4885LMNA 3387/4885HPGD 2253/4885

“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.