SCHEMBL10049524

SCHEMBL10049524

CC(=O)N/N=C1\C(=O)C2=C(OC(C)(C)CC2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 9/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ MAPT P10636 4/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ IDO1 P14902 3/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ RECQL P46063 2/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ TP53 P04637 2/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ CES2 O00748 1/20 0.62
▸ GMNN O75496 1/20 0.62
▸ TDP2 O95551 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ GLA P06280 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62

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
SCHEMBL10915343 0.89 MALT1 (0.61) MALT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10915342 0.89 MALT1 (0.61) MALT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10916049 0.86 MALT1 (0.60) MALT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10916047 0.86 MALT1 (0.60) MALT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10914365 0.85 MALT1 (0.55) MALT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10916079 0.85 MALT1 (0.55) MALT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10914362 0.85 MALT1 (0.55) MALT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10916084 0.85 MALT1 (0.55) MALT1ALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL10951308 0.84 MALT1 (0.54) MALT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10916020 0.82 MALT1 (0.72) MALT1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9631041-B2 PH-sensitive compositions for delivery of beta lapachone and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-25 — — US disclosed
US-9631041-B2 PH-sensitive compositions for delivery of beta lapachone and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-25 — — US disclosed
US-9469878-B2 Methods of treating cancer comprising targeting NQO1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-10-18 — — US disclosed
US-9469878-B2 Methods of treating cancer comprising targeting NQO1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-10-18 — — US disclosed
US-20130253046-A1 METHODS OF TREATING CANCER COMPRISING TARGETING NQO1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-09-26 — — US disclosed
US-20130253046-A1 METHODS OF TREATING CANCER COMPRISING TARGETING NQO1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-09-26 — — US disclosed
WO-2012039855-A1 PH-SENSITIVE COMPOSITIONS FOR DELIVERY OF BETA LAPACHONE AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-03-29 — — 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 (1 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-20130253046-A1 METHODS OF TREATING CANCER COMPRISING TARGETING NQO1 NQO1, KEAP1, GSTK1 MALT1 3920/4885ALDH1A1 51/4885MAPT 3663/4885

“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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