SCHEMBL10077417

SCHEMBL10077417

CCOC(=O)/C(C)=N\Nc1ccc2scnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
GAA P10253 3/20 0.47
HSD11B1 P28845 1/20 0.43
RIPK2 O43353 2/20 0.42
RIPK3 Q9Y572 1/20 0.42
NPSR1 Q6W5P4 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM5 P08912 1/20 0.39

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
SCHEMBL4807762 0.77 GAA (0.42) MAPTGAANPSR1SMN1; SMN2ATM
SCHEMBL4807755 0.77 GAA (0.42) MAPTGAANPSR1SMN1; SMN2ATM
SCHEMBL4811515 0.74 P2RY14 (0.49) MAPTGAASMN1; SMN2ATMKMT2A
SCHEMBL4811518 0.74 P2RY14 (0.49) MAPTGAASMN1; SMN2ATMKMT2A
SCHEMBL20159628 0.74 KYAT1 (0.60) MAPTGAANPSR1SMN1; SMN2ALDH1A1
SCHEMBL20142642 0.74 KYAT1 (0.60) MAPTGAANPSR1SMN1; SMN2ALDH1A1
SCHEMBL20142641 0.74 KYAT1 (0.60) MAPTGAANPSR1SMN1; SMN2ALDH1A1
SCHEMBL22760545 0.74 HPGD (0.48) MAPTGAANPSR1SMN1; SMN2ALDH1A1
SCHEMBL6141984 0.74 POLB (0.54) MAPTGAANPSR1SMN1; SMN2ALDH1A1
SCHEMBL6141981 0.74 POLB (0.54) MAPTGAANPSR1SMN1; SMN2ALDH1A1

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 10 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-8268803-B2 5, 6-ring annulated indole derivatives and use thereof MERCK SHARP & DOHME CORP. (US) 2012-09-18 US disclosed
US-8268803-B2 5, 6-ring annulated indole derivatives and use thereof MERCK SHARP & DOHME CORP. (US) 2012-09-18 US disclosed
EP-2081922-B1 5,6-Ring annulated indole derivatives and use thereof SCHERING CORP (US) 2012-02-01 EP disclosed
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2010-12-23 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-2008136815-A2 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-11-13 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 (2 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 MAPT 3449/4885GAA 3929/4885HSD11B1 238/4885
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF IDO1, IDO2, TPH1 MAPT 1314/4885GAA 3941/4885HSD11B1 370/4885

“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.