SCHEMBL5311329

SCHEMBL5311329

O=C(CCCOc1ccccc1)Nc1ccc2[nH]nc(C3=CCN4CCCCC4C3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX15 P16050 1/20 0.41
PARP1 P09874 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
NAMPT P43490 1/20 0.39
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
TTK P33981 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ITK Q08881 1/20 0.38
RAB9A P51151 2/20 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
SCHEMBL5309086 0.82 NR1H4 (0.45) MAPTTSHRMAPK1MEN1KMT2A
SCHEMBL8382162 0.81 MAPT (0.43) MAPTL3MBTL1TSHRMAPK1ALOX15
SCHEMBL5307257 0.80 ROCK2 (0.44) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL5906286 0.79 ITK (0.41) MAPK1ITK
SCHEMBL5906407 0.77 TTK (0.51) MAPTL3MBTL1MAPK1ALOX15MEN1
SCHEMBL5308443 0.77 HTR1D (0.45) MAPK1RAB9ANPC1
SCHEMBL5310428 0.77 LRRK2 (0.41) L3MBTL1NAMPTAURKAITK
SCHEMBL8386599 0.76 MAPT (0.44) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL5309753 0.76 TTK (0.42) PARP1CYP3A4CYP2D6CYP2C19AURKA
SCHEMBL5906408 0.73 ALDH1A1 (0.40) MAPTMAPK1SMN1; SMN2HTTALDH1A1

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
EP-1841427-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID Pozen, Inc. (US) 2007-10-10 EP disclosed
US-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID POZEN INC. (US) 2006-08-10 US disclosed
WO-2006081127-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID POZEN INC. (US) 2006-08-03 WO disclosed
EP-0978514-B1 Indazole derivatives as 5-HT1F agonists LILLY CO ELI (US) 2004-12-15 EP disclosed
US-6133290-A 5-HT1F agonists ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
WO-2000006173-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0978514-A1 Indazole derivatives as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2000-02-09 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-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID HTR1F, HTR1A, HTR1E MAPT 2679/4885L3MBTL1 4816/4885TSHR 2428/4885

“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.