SCHEMBL3837192

SCHEMBL3837192

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.38
HTR2A P28223 9/20 0.38
HTR1A P08908 8/20 0.38
HTR7 P34969 8/20 0.38
DRD2 P14416 7/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LDHA P00338 2/20 0.34
LDHB P07195 2/20 0.34
HAO1 Q9UJM8 1/20 0.33
TP53 P04637 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
SCHEMBL3193721 0.89 CHEK1 (0.41) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3204460 0.87 ALDH1A1 (0.40) TP53
SCHEMBL3194776 0.87 CD274 (0.41) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3193797 0.84 HRH1 (0.44) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL9884423 0.84 TP53 (0.33) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3207197 0.83 CHEK1 (0.35) HTR6HTR2AHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL3214789 0.83 TP53 (0.33) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3829616 0.83 RXFP1 (0.38)
SCHEMBL3210442 0.82 CHEK1 (0.40) TP53
SCHEMBL3206896 0.81 VSIR (0.39) PDCD1CD274

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-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 HTR6 2920/4885HTR2A 3001/4885HTR1A 2611/4885

“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.