SCHEMBL6001685

SCHEMBL6001685

O=C1c2cccc(O)c2C(=O)c2ccsc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.68
MAPT P10636 6/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
TSHR P16473 2/20 0.60
HPGD P15428 2/20 0.60
ALOX15 P16050 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSD17B10 Q99714 2/20 0.60
LMNA P02545 1/20 0.60
MAOB P27338 1/20 0.60
HTT P42858 1/20 0.60
STAT3 P40763 3/20 0.53
PABPC1 P11940 1/20 0.53
DNMT1 P26358 1/20 0.53
PTPRC P08575 1/20 0.52
CES1 P23141 1/20 0.50
KDM4E B2RXH2 4/20 0.47
RECQL P46063 4/20 0.47

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
Anthrarufin SCHEMBL29874705 0.82 MAOA (1.00) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL29363946 0.82 MAOA (1.00) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL187843 0.82 MAOA (1.00) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL28196883 0.80 MAOA (0.95) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL27169537 0.80 MAOA (0.95) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL28419741 0.80 MAOA (0.95) MAOAMAPTALDH1A1MAPK1TDP1
SCHEMBL4402747 0.78 MAOA (0.91) MAOAMAPTALDH1A1MAPK1TDP1
SCHEMBL206335 0.78 CES1 (0.79) PABPC1DNMT1PTPRCCES1
Anthrarufin SCHEMBL25355428 0.77 MAOA (0.86) MAOAMAPTALDH1A1MAPK1TDP1
1-Hydroxyanthraquinone SCHEMBL145303 0.77 MAOA (0.86) MAOAMAPTALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436669-B1 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO LTD (JP) 2016-01-13 EP disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20060142271-A1 Novel lapacho compounds and methods of use thereof MUNSTER, UNIVERSITY OF (DE) 2006-06-29 US disclosed
EP-1551392-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-07-13 EP disclosed
WO-2004026253-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-04-01 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-20060142271-A1 Novel lapacho compounds and methods of use thereof XIAP, PIN1, NQO1 MAOA 2789/4885MAPT 3494/4885ALDH1A1 1710/4885
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION NR2C2, NR0B2, NR4A2 MAOA 1290/4885MAPT 4425/4885ALDH1A1 862/4885

“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.