SCHEMBL3829616

SCHEMBL3829616

NC(=O)Nc1[nH]c2cc(-c3ccc(C(=O)NCCO)o3)ccc2c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.34
PRNP P04156 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHEK1 O14757 1/20 0.34
ULK1 O75385 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL3834130 0.90 TNKS2 (0.39) RXFP1ALDH1A1KDM4ELMNAMAPT
SCHEMBL3831145 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTMAPK1HPGD
SCHEMBL3837192 0.83 HTR6 (0.38)
SCHEMBL3204460 0.82 ALDH1A1 (0.40) RXFP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL14142542 0.80 KMT2A (0.40) RXFP1ALDH1A1KDM4ELMNAMAPT
SCHEMBL3193721 0.78 CHEK1 (0.41) CHEK1
SCHEMBL3831016 0.78 MPL (0.39) ALDH1A1KDM4E
SCHEMBL3194776 0.78 CD274 (0.41) MAPTGAA
SCHEMBL3195669 0.78 CHUK (0.38) ALDH1A1KDM4ECHEK1
SCHEMBL3197167 0.77 LDHA (0.42) ALDH1A1KDM4ELMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP 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-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG RXFP1 3549/4885ALDH1A1 3077/4885KDM4E 1670/4885

“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.