SCHEMBL830378

SCHEMBL830378

CCOC(=O)c1[nH]c2ccc(C)cc2c1I

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.71
KDM4E B2RXH2 9/20 0.71
MAPT P10636 5/20 0.71
RAB9A P51151 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
GAA P10253 2/20 0.71
NPC1 O15118 2/20 0.71
TP53 P04637 1/20 0.71
TSHR P16473 1/20 0.59
KMT2A Q03164 4/20 0.58
HPGD P15428 7/20 0.54
HSD17B10 Q99714 4/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.49
XBP1 P17861 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.48
HCRTR1 O43613 2/20 0.48

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
SCHEMBL2351650 0.89 GABRA1 (0.60) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL830073 0.87 KDM4E (0.54) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL1259124 0.87 KDM4E (0.61) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL829181 0.86 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL26213303 0.86 KMT2A (0.56) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL333983 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL7688090 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL16943501 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL829961 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL7086632 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 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
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
CN-101842376-A Tetracyclic indole derivatives and being used for the treatment of or prophylaxis of viral infections SCHERING CORP 2010-09-22 CN disclosed
EP-2197884-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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 (3 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 ALDH1A1 2482/4885KDM4E 2071/4885MAPT 424/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 ALDH1A1 1792/4885KDM4E 1061/4885MAPT 1047/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT ALDH1A1 800/4885KDM4E 1111/4885MAPT 1061/4885

“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.