SCHEMBL4855822

SCHEMBL4855822

Oc1cc(-c2ccccc2F)nc2ccsc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.43
NPC1 O15118 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
ADORA2A P29274 4/20 0.41
ADORA3 P0DMS8 3/20 0.41
VCP P55072 1/20 0.40
ADORA1 P30542 3/20 0.38
ADORA2B P29275 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4857319 0.79 ADORA2A (0.38) NPC1L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL4849634 0.78 MAPT (0.45) L3MBTL1MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL4848277 0.76 MAPT (0.48) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL10612165 0.75 ADORA2A (0.47) NPC1MAPTGAAADORA2AADORA3
SCHEMBL4735939 0.75 ADORA2A (0.50) NPC1L3MBTL1RAB9ASMN1; SMN2ADORA2A
SCHEMBL4854161 0.72 ADORA2B (0.36) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL18084374 0.72 NPC1 (0.41) MPLNPC1L3MBTL1MAPTALDH1A1
SCHEMBL4851510 0.71 DHODH (0.44) NPC1MAPTRAB9AESR1ESR2
SCHEMBL7527077 0.70 SMN1; SMN2 (0.60) NPC1L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL6663329 0.68 ESR1 (0.69) MAPTALDH1A1GAAESR1ESR2

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
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US claimed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US claimed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US claimed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US disclosed
US-6828329-B2 Agonists, antagonists for gamma-aminobutyric acid brain receptors useful in diagnosis and treatment of anxiety depressionm, down syndrome, sleep and seizure disorders NEUROGEN CORPORATION 2004-12-07 US disclosed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US 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-20050154008-A1 Aryl fused substituted 4-oxy-pyridines CHRNA7, CHRNA4, GABRA6 MPL 663/4885NPC1 1941/4885L3MBTL1 2072/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 MPL 775/4885NPC1 2595/4885L3MBTL1 1734/4885

“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.