SCHEMBL6804727

SCHEMBL6804727

Oc1c2c(c3ccccc3c1O)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.38
THRB P10828 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
MCL1 Q07820 2/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PADI4 Q9UM07 1/20 0.37

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
SCHEMBL29975451 1.00 KDM4E (0.39) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL29658219 0.79 KDM4E (0.40) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5555424 0.78 GPR84 (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7984547 0.75 HSD17B10 (0.55) KDM4EMAPTALDH1A1TDP1L3MBTL1
SCHEMBL29648165 0.74 IDO1 (0.53) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL30503415 0.74 PADI4 (0.55) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL888293 0.74 PADI4 (0.55) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL27740 0.74 IDO1 (0.53) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL9735627 0.73 CYP2D6 (0.45) KDM4EMEN1KMT2ALMNAPOLB
SCHEMBL9735632 0.73 CYP2D6 (0.41) KDM4EMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
US-6673937-B2 ANALOGS OF DEOXYPREUSSOMERIN, PALMARUMYCIN CPI AND RELATED NAPHTHOQUINONE SPIROKETALS; INHIBIT THIOREDOXIN-THIOREDOXIN REDUCTASE SYSTEM THE UNIVERSITY OF PITTSBURGH 2004-01-06 US disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
US-20020049221-A1 Synthesis and methods of use of new antimitotic agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-04-25 US disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A KDM4E 2363/4885MAPT 2576/4885MEN1 1936/4885
US-20020049221-A1 Synthesis and methods of use of new antimitotic agents TXNRD1, TXNRD3, TXN2 KDM4E 3855/4885MAPT 4095/4885MEN1 3341/4885

“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.