SCHEMBL12388669

SCHEMBL12388669

COC(=O)c1[nH]c2ccc3ccoc3c2c1I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.34
▸ ALDH1A1 P00352 7/20 0.34
▸ HSD17B10 Q99714 5/20 0.34
▸ GAA P10253 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TUBB4A P04350 6/20 0.33
▸ TUBB P07437 6/20 0.33
▸ TUBA3C P0DPH7 6/20 0.33
▸ TUBA1B P68363 6/20 0.33
▸ TUBA4A P68366 6/20 0.33
▸ TUBB4B P68371 6/20 0.33
▸ TUBB3 Q13509 6/20 0.33
▸ TUBB2A Q13885 6/20 0.33
▸ TUBB8 Q3ZCM7 6/20 0.33
▸ TUBA3E Q6PEY2 6/20 0.33
▸ TUBA1A Q71U36 6/20 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
SCHEMBL1244015 0.81 KDM4E (0.38) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL13209985 0.77 TUBB4A (0.45) KDM4EALDH1A1HSD17B10GAANPSR1
SCHEMBL12388671 0.75 CCNC (0.35) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL13395533 0.75 KDM4E (0.34) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL13395504 0.74 BTK (0.37) KDM4EALDH1A1HSD17B10
SCHEMBL13209999 0.74 TP53 (0.44) KDM4EALDH1A1HPGDMAPTALOX15
SCHEMBL12388666 0.71 XDH (0.44) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL13210004 0.71 KDM4E (0.38) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL8225320 0.71 KDM4E (0.38) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL12388683 0.70 PARP1 (0.37) KDM4EALDH1A1HSD17B10GAAHPGD

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
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 — — US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 — — 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-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-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — 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

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 KDM4E 405/4885ALDH1A1 248/4885HSD17B10 853/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 KDM4E 1597/4885ALDH1A1 1741/4885HSD17B10 514/4885

“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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