SCHEMBL3214692

SCHEMBL3214692

NC(=O)Nc1[nH]c2cc(CSC3CCCCC3)ccc2c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
QRFPR Q96P65 1/20 0.34
RAB9A P51151 3/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHEK1 O14757 1/20 0.31
NPC1 O15118 1/20 0.31
JAK2 O60674 3/20 0.31
CHEK2 O96017 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 1/20 0.30
KIF11 P52732 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL9885134 0.84 CHEK2 (0.43) ALDH1A1KDM4ECHEK1JAK2CHEK2
SCHEMBL3830984 0.81 NPC1 (0.40) KMT2AALDH1A1MEN1LMNARAB9A
SCHEMBL3829147 0.81 CHEK1 (0.47) KMT2AALDH1A1MEN1HTTHPGD
SCHEMBL3217246 0.79 KDM4E (0.35) KMT2AALDH1A1MEN1KDM4EKIF11
SCHEMBL3835840 0.78 CHEK1 (0.42) KMT2AALDH1A1MEN1RAB9AKDM4E
SCHEMBL3829633 0.78 KDM4E (0.37) ALDH1A1KDM4EEPHX1KIF11
SCHEMBL3832900 0.78 KDM4E (0.34) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL3205419 0.78 GPR84 (0.39) ALDH1A1KDM4EKIF11
SCHEMBL3835634 0.78 ALDH1A1 (0.40) ALDH1A1LMNARAB9AKDM4ENPC1
SCHEMBL3205898 0.78 PARP1 (0.40) ALDH1A1KDM4EKIF11

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 8 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
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 KMT2A 823/4885ALDH1A1 3077/4885MEN1 3778/4885

“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.