SCHEMBL6533513

SCHEMBL6533513

CC(=O)c1c(-c2ccccc2)ccc(NCc2ccccc2)c1NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR2 Q13324 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL3714028 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDCHRNB2CHRNB4
SCHEMBL15470920 0.72 CA2 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2616458 0.69 HSD17B10 (0.61) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL28467589 0.68 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDCHRNB2CHRNB4
SCHEMBL11530828 0.68 SMN1; SMN2 (0.50) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL3714026 0.67 CHRNB2 (0.58) ALDH1A1KDM4EHPGDCHRNB2CHRNB4
SCHEMBL23400758 0.66 ESR2 (0.46) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL30438823 0.66 KMT2A (0.51) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL9821131 0.66 KMT2A (0.59) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28843711 0.66 HSD17B10 (0.50) ALDH1A1KDM4EHPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 ALDH1A1 1028/4885KDM4E 2221/4885HPGD 2137/4885

“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.