SCHEMBL862355

SCHEMBL862355

CCCCOc1ccc2[nH]c(C(=O)OCC)c(I)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 6/20 0.57
HPGD P15428 4/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
GABRA1 P14867 3/20 0.53
GABRG2 P18507 3/20 0.53
GABRB3 P28472 3/20 0.53
GABRA5 P31644 3/20 0.53
GABRA3 P34903 3/20 0.53
GABRA2 P47869 3/20 0.53
HSD17B10 Q99714 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
GAA P10253 4/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GABRA4 P48169 2/20 0.48
GABRA6 Q16445 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
SCHEMBL7086632 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL13395477 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL829647 0.84 GABRA1 (0.64) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL385458 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL2351650 0.82 GABRA1 (0.60) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL830378 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL1259124 0.81 KDM4E (0.61) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL830073 0.81 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL13336465 0.80 GAA (0.66) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL333983 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTNPC1

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
WO-2012059568-A1 NOVEL WATER-SOLUBLE INDOLOBENZAZEPINE MOLECULES DEMONSTRATING ANTIMITOTIC, ANTIVASCULAR, AND ANTITUMOR ACTIVITIES IN VIVO CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-05-10 WO disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 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 (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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 ALDH1A1 2482/4885KDM4E 2071/4885HPGD 3175/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 ALDH1A1 1792/4885KDM4E 1061/4885HPGD 2591/4885

“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.