SCHEMBL659486

SCHEMBL659486

C[CH]c1ncccc1CC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SGMS2 Q8NHU3 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NFE2L2 Q16236 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL11830127 0.84 KDM4E (0.35) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL6115316 0.83 TRIM24 (0.39) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL472968 0.82 LMNA (0.37) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL21759880 0.80 KDM4E (0.35) GABRA1GABRB2KDM4EALDH1A1HTR1A
Benzene SCHEMBL11824212 0.80 TRIM24 (0.37) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL9000359 0.80 SLC40A1 (0.37) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL9902917 0.77 FGF23 (0.44) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL19215683 0.76
SCHEMBL20385550 0.74 LMNA (0.33) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL9644669 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471782-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Kowa Company, Ltd. (JP) 2012-07-04 EP disclosed
US-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-05-17 US disclosed
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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 (2 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-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AGTR2, AGTR1, PPARA GABRA1 1539/4885GABRB2 1264/4885KDM4E 4483/4885
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD GABRA1 66/4885GABRB2 106/4885KDM4E 3100/4885

“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.