SCHEMBL13395504

SCHEMBL13395504

COC(=O)c1[nH]c2ccc3ccoc3c2c1-c1cccnc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.37
▸ KCNA3 P22001 2/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12388671 0.89 CCNC (0.35) CCNCCDK8SLC40A1KDM4EALDH1A1
SCHEMBL13209998 0.84 SLC40A1 (0.42) BTKPDE10ALOXL2HDAC6SLC40A1
SCHEMBL13209989 0.82 DHODH (0.40) BTKPDE10ALOXL2HDAC6SLC40A1
SCHEMBL13395536 0.80 PDE10A (0.38) BTKPDE10ALOXL2HDAC6ELANE
SCHEMBL13210003 0.77 BTK (0.41) BTKKCNA3PDE10ALOXL2HDAC6
SCHEMBL12388685 0.77 BTK (0.38) BTKKCNA3PDE10ALOXL2HDAC6
SCHEMBL13395480 0.76 ALDH1A1 (0.39) BTKKCNA3KDM4EALDH1A1HSD17B10
SCHEMBL13210023 0.75 BTK (0.36) BTKKCNA3PDE10ALOXL2HDAC6
SCHEMBL12388669 0.74 KDM4E (0.34) KDM4EALDH1A1HSD17B10
SCHEMBL12388702 0.74 KCNA3 (0.38) KCNA3KDM4EALDH1A1HSD17B10TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 — — WO 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-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L BTK 2343/4885KCNA3 3028/4885PDE10A 3696/4885

“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.

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