SCHEMBL832441

SCHEMBL832441

Cc1ccc2[nH]c(C(=O)OC(C)(C)C)c(I)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 8/20 0.48
MAPT P10636 6/20 0.48
GAA P10253 5/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GABRA1 P14867 6/20 0.46
GABRG2 P18507 6/20 0.46
GABRB3 P28472 6/20 0.46
GABRA3 P34903 6/20 0.46
GABRA2 P47869 6/20 0.46
GABRA5 P31644 4/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.44
GFER P55789 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL387911 0.83 MEN1 (0.48) KDM4EGABRA1GABRG2GABRB3GABRA3
SCHEMBL830378 0.82 ALDH1A1 (0.71) KDM4EALDH1A1MAPTGAANPC1
SCHEMBL29236560 0.81 GABRA1 (0.51) KDM4EALDH1A1MAPTGAARAB9A
SCHEMBL12597633 0.79 ALDH1A1 (0.61) KDM4EALDH1A1MAPTGAANPC1
SCHEMBL832372 0.72 KDM4E (0.42) KDM4EALDH1A1MAPTGAANPC1
SCHEMBL14602590 0.71 ALDH1A1 (0.63) KDM4EALDH1A1MAPTGABRA1GABRG2
SCHEMBL27385781 0.71 GABRA1 (0.44) KDM4EALDH1A1MAPTGAANPC1
SCHEMBL23901082 0.70 MAP2K4 (0.47) KDM4EALDH1A1MAPTGAANPC1
SCHEMBL2351650 0.70 GABRA1 (0.60) KDM4EALDH1A1MAPTGAANPC1
SCHEMBL832227 0.70 RAB9A (0.67) KDM4EALDH1A1NPC1TP53RAB9A

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-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-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 (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 KDM4E 2071/4885ALDH1A1 2482/4885MAPT 424/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KDM4E 1061/4885ALDH1A1 1792/4885MAPT 1047/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT KDM4E 1111/4885ALDH1A1 800/4885MAPT 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.