SCHEMBL831574

SCHEMBL831574

CCCn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
GAA P10253 1/20 0.39
CHEK1 O14757 2/20 0.39
WEE1 P30291 2/20 0.39
CDK1 P06493 1/20 0.39
KMT2A Q03164 3/20 0.38
CYP2C8 P10632 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
MCL1 Q07820 1/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL831509 0.95 PSEN1 (0.45) KDM4EALDH1A1CYP1A2HPGDPSEN1
SCHEMBL831565 0.93 ALDH1A1 (0.40) KDM4EALDH1A1CYP1A2HPGDPSEN1
SCHEMBL862126 0.91 PSEN1 (0.40) KDM4EALDH1A1CYP1A2HPGDPSEN1
SCHEMBL862037 0.89 KMT2A (0.44) KDM4EALDH1A1CYP1A2HPGDCHEK1
SCHEMBL10256956 0.88 KDM4E (0.38) KDM4EALDH1A1CYP1A2HPGDPSEN1
SCHEMBL831170 0.88 KDM4E (0.38) KDM4EALDH1A1CYP1A2HPGDPSEN1
SCHEMBL862067 0.88 KMT2A (0.50) KDM4EALDH1A1CYP1A2HPGDKMT2A
SCHEMBL10260725 0.88 KDM4E (0.47) KDM4EALDH1A1CYP1A2HPGDPSEN1
SCHEMBL831067 0.88 FAAH (0.41) KDM4EALDH1A1CYP1A2HPGDPSEN1
SCHEMBL831080 0.87 CA12 (0.41) KDM4EALDH1A1CYP1A2HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KDM4E 1061/4885ALDH1A1 1792/4885CYP1A2 305/4885

“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.