SCHEMBL3701979

SCHEMBL3701979

COc1cc(NCc2ccc(Oc3cccc(N4CCCC4)c3)cn2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.42
GAA P10253 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 9/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPK1 P28482 7/20 0.40
TDP1 Q9NUW8 4/20 0.40
ALOX15 P16050 3/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALOX12 P18054 2/20 0.39
CACNA1B Q00975 3/20 0.38
BRD4 O60885 1/20 0.38
MPI P34949 2/20 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
SCHEMBL3649390 0.84 GALR2 (0.44) MAPTMAPK1TDP1
SCHEMBL3655769 0.80 GRM4 (0.41) L3MBTL1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL3653401 0.77 GPBAR1 (0.39) MAPTALDH1A1NPC1TSHRMAP4K1
SCHEMBL3652154 0.77 CCNK (0.47) BRD4
SCHEMBL8068266 0.76 MET (0.49) SMN1; SMN2NPC1
SCHEMBL3701978 0.75 F10 (0.36) MAPTALDH1A1NPC1TSHRMAP4K1
SCHEMBL27797431 0.69 GALR2 (0.46) GAASMN1; SMN2MAPTALDH1A1
SCHEMBL3653339 0.67 CHRNA3 (0.42) GAAMAPTKDM4EALDH1A1NPC1
SCHEMBL3653896 0.67 MAPK10 (0.47) MAPT
SCHEMBL2598615 0.66 JAK2 (0.45) SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US claimed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
EP-2205317-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2010-07-14 EP disclosed
WO-2009044160-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2009-04-09 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 (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-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HCRTR1, HCRTR2, RTN3 L3MBTL1 1277/4885GAA 2591/4885SMN1; SMN2 226/4885

“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.