SCHEMBL4981889

SCHEMBL4981889

C#CCNC(=O)c1ccc2c(C(=O)c3c(-c4cccc(F)c4)noc3C)c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 9/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4604077 0.91 CYP1A2 (0.40) GABRA5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4607421 0.91 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4981274 0.90 NR1H4 (0.40) GABRA5
SCHEMBL4980783 0.87 GABRA5 (0.56) GABRA5ALDH1A1LMNA
SCHEMBL14188863 0.86 TSHR (0.52) GABRA5MAPTRECQLHTTSMN1; SMN2
SCHEMBL4605381 0.85 GPBAR1 (0.46) GABRA5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14188872 0.85 SMN1; SMN2 (0.59) GABRA5HTTSMN1; SMN2GAATSHR
SCHEMBL4980741 0.85 GABRA5 (0.53) GABRA5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4605621 0.85 GABRA5 (0.50) GABRA5GPBAR1MAPTRECQLSMN1; SMN2
SCHEMBL4981910 0.84 CYP1A2 (0.44) GABRA5CYP1A2CYP3A4CYP2D6CYP2C9

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
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
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 1/4885CYP1A2 313/4885CYP3A4 290/4885

“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.