SCHEMBL2085693

SCHEMBL2085693

O=Cc1ncccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 3/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
GCK P35557 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTNNB1 P35222 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9426084 0.82 GCK (0.43) LMNAGAAKMT2ATSHRALDH1A1
SCHEMBL27255595 0.79 HTT (0.47) LMNATSHRALDH1A1SMN1; SMN2TTR
SCHEMBL9577154 0.78 GCK (0.40) LMNAGAAKMT2ATSHRALDH1A1
SCHEMBL24631752 0.78 LTA4H (0.53) LMNAKMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL30134722 0.78 LTA4H (0.53) LMNAKMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL1178876 0.76 LTA4H (0.58) KMT2AALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL3875262 0.76 LMNA (0.46) LMNAGAAKMT2ATSHRSMN1; SMN2
SCHEMBL10675369 0.76 KMT2A (0.46) LMNAGAAKMT2ATSHRALDH1A1
SCHEMBL4963354 0.76 TRIM24 (0.38) LMNAKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2084338 0.76 NFE2L2 (0.55) RAB9ATLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 US disclosed
US-4491585-A Combating pests with novel phenoxypyridylmethyl esters BAYER AKTIENGESELLSCHAFT (DE) 1985-01-01 US disclosed
EP-0061114-B1 PHENOXYPYRIDYLMETHYL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PESTICIDAL COMPOSITIONS BAYER AG (DE) 1984-12-12 EP disclosed
EP-0076961-A1 Substituted vinylcyclopropanecarboxylic acid (6-phenoxy-2-pyridinyl)methyl esters, process for their preparation and their use as pesticides BAYER AG (DE) 1983-04-20 EP disclosed
EP-0061114-A1 Phenoxypyridylmethyl esters, process for their preparation and their use in pesticidal compositions BAYER AG (DE) 1982-09-29 EP 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 LMNA 4525/4885GAA 4838/4885KMT2A 4082/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 LMNA 4691/4885GAA 4741/4885KMT2A 2950/4885

“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.