SCHEMBL510486

SCHEMBL510486

N#CCc1ccc(OCc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.54
P4HTM Q9NXG6 1/20 0.51
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
BCHE P06276 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
SCHEMBL24372405 0.79 CD274 (0.60) MAOBP4HTMLMNACYP1A2PTGS1
SCHEMBL20406077 0.79 P4HTM (0.55) MAOBP4HTMLMNACYP1A2PTGS1
SCHEMBL11340324 0.79 MAOB (0.64) MAOBP4HTMLMNACYP1A2PTGS1
SCHEMBL510634 0.79 P4HTM (0.55) MAOBP4HTMLMNACYP1A2PTGS1
SCHEMBL1680607 0.79 MAOB (0.59) MAOBP4HTMLMNACYP1A2PTGS1
SCHEMBL226721 0.79 P4HTM (0.59) MAOBP4HTMLMNACYP1A2PTGS1
SCHEMBL13571093 0.79 P4HTM (0.55) MAOBP4HTMLMNACYP1A2PTGS1
SCHEMBL2277105 0.78 MAOB (0.68) MAOBLMNACYP1A2PTGS1SLC6A2
Hydrochloric Acid SCHEMBL2306614 0.78 P4HTM (0.54) MAOBP4HTMLMNACYP1A2PTGS1
SCHEMBL1572841 0.78 P4HTM (0.54) MAOBP4HTMLMNACYP1A2PTGS1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP disclosed
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
CN-101300250-B Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD 2012-09-05 CN disclosed
US-8158657-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 US disclosed
CN-1250531-C Novel compounds ASTRAZENECA AB (SE) 2006-04-12 CN disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 US disclosed
CN-1503787-A Novel compounds 2004-06-09 CN disclosed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 WO disclosed
US-5925646-A Heterocyclic aryl-, alkyl- and cycloalkylacetamides BAYER AKTIENGESELLSCHAFT (DE) 1999-07-20 US disclosed
US-5747505-A Heterocyclic aryl-, alkyl- and cycloalkylacetamides BAYER AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed
EP-0765878-A1 Heterocyclic aryl-, alkyl- and cycloalkylacetic acid amides BAYER AG (DE) 1997-04-02 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 (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-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 MAOB 1566/4885P4HTM 1625/4885LMNA 4123/4885

“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.