SCHEMBL3971688

SCHEMBL3971688

O=C1C(Br)=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N1COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
LTA4H P09960 2/20 0.45
PLA2G2A P14555 2/20 0.45
ATP4A P20648 3/20 0.45
ATP4B P51164 3/20 0.45
ACHE P22303 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1D P28221 3/20 0.44
SLC6A4 P31645 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL5828525 0.87 SIRT2 (0.59) MAPTSIRT2MEN1KMT2AALDH1A1
SCHEMBL5339384 0.85 HTR1D (0.48) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL5337023 0.79 MAOA (0.52) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL5828027 0.79 PIM1 (0.47) SIRT2
SCHEMBL9374063 0.79 SIRT2 (0.70) MAPTSIRT2MEN1KMT2A
Tert-Butyl Formate SCHEMBL27613248 0.78 ACHE (0.43) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL7814978 0.78 MAOA (0.58) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL5332724 0.77 ALDH1A1 (0.52) TRPM8KDM4EMAPTACHESIRT2
SCHEMBL7815290 0.75 PRKCB (0.60) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL7828332 0.75 TRPM8 (0.53) TRPM8KDM4EMAPTLTA4HPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646380-A4 INDOLOCARBAZOLE ANTICANCER AGENTS AND METHODS OF USING SAME ADVANCED LIFE SCIENCES INC (US) 2009-03-11 EP disclosed
US-7122526-B2 Indolocarbazole anticancer agents and methods of using same NANOSPHERE, INC. (US) 2006-10-17 US disclosed
EP-1646380-A2 INDOLOCARBAZOLE ANTICANCER AGENTS AND METHODS OF USING SAME Advanced Life Sciences Inc. (US) 2006-04-19 EP disclosed
EP-1341412-B1 INDOLOCARBAZOLE ANTICANCER AGENTS AND METHODS OF USING THEM ADVANCED LIFE SCIENCES INC (US) 2006-01-11 EP disclosed
WO-2005039484-A2 INDOLOCARBAZOLE ANTICANCER AGENTS AND METHODS OF USING SAME ADVANCED LIFE SCIENCES, INC. (US) 2005-05-06 WO disclosed
US-20040077554-A1 Indolocarbazole anticancer agents and methods of using same ADVANCED LIFE SCIENCES, INC. 2004-04-22 US disclosed
EP-1341412-A1 INDOLOCARBAZOLE ANTICANCER AGENTS AND METHODS OF USING THEM Advanced Life Sciences, Inc. (US) 2003-09-10 EP disclosed
US-20030087842-A1 Indolocarbazole anticancer agents and methods of using them ADVANCED LIFE SCIENCES, INC. 2003-05-08 US disclosed
WO-2002048166-A1 INDOLOCARBAZOLE ANTICANCER AGENTS AND METHODS OF USING THEM ADVANCED LIFE SCIENCES, INC. (US) 2002-06-20 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-20040077554-A1 Indolocarbazole anticancer agents and methods of using same TOP1, TOP2A, TOP2B TRPM8 4721/4885KDM4E 2544/4885MAPT 3709/4885
US-20030087842-A1 Indolocarbazole anticancer agents and methods of using them TOP1, TOP2A, TOP2B TRPM8 4783/4885KDM4E 2551/4885MAPT 3822/4885

“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.