SCHEMBL3829147

SCHEMBL3829147

NC(=O)Nc1[nH]c2cc(CNC3CCCC3)ccc2c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
PARP1 P09874 5/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
METTL3 Q86U44 2/20 0.35
METTL14 Q9HCE5 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3835840 0.95 CHEK1 (0.42) CHEK1MEN1KMT2AHDAC1ALDH1A1
SCHEMBL3204573 0.89 CHEK1 (0.47) CHEK1HDAC1ALDH1A1PARP1POLB
SCHEMBL14236207 0.85 PARP1 (0.38) CHEK1MEN1KMT2AHDAC1ALDH1A1
SCHEMBL3208005 0.84 CHEK1 (0.42) CHEK1MEN1KMT2AHDAC1PARP1
SCHEMBL9885134 0.83 CHEK2 (0.43) CHEK1ALDH1A1
SCHEMBL3210442 0.82 CHEK1 (0.40) CHEK1KMT2AHRH3ALDH1A1ALOX15
SCHEMBL3835837 0.81 PARP1 (0.40) MEN1KMT2AALDH1A1PARP1HPGD
SCHEMBL3214692 0.81 KMT2A (0.43) CHEK1MEN1KMT2AALDH1A1HPGD
SCHEMBL3261900 0.80 MAP4K4 (0.40) CHEK1PARP1
SCHEMBL3205419 0.80 GPR84 (0.39) ALDH1A1

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
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-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 CHEK1 1832/4885MEN1 3778/4885KMT2A 823/4885

“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.