SCHEMBL3701978

SCHEMBL3701978

COc1cc(C(N)c2ccc(Oc3cccc(N4CCCC4)c3)cn2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
MAP4K1 Q92918 1/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
DHFR P00374 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
CACNA1G O43497 1/20 0.34
HIF1A Q16665 3/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
TRPC6 Q9Y210 2/20 0.34
TSHR P16473 1/20 0.33
NR1I2 O75469 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKG1 Q13976 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL27797602 0.85 SMN1; SMN2 (0.41) MAPTLMNAALDH1A1TSHR
SCHEMBL3650129 0.82 F10 (0.39) F10
SCHEMBL3649390 0.77 GALR2 (0.44) MAPT
SCHEMBL3653401 0.76 GPBAR1 (0.39) F10MAP4K1NPC1MAPTDHFR
SCHEMBL3701979 0.75 L3MBTL1 (0.42) MAP4K1NPC1MAPTALDH1A1TSHR
SCHEMBL3655769 0.73 GRM4 (0.41) MAP4K1NPC1MAPTPOLBRAB9A
SCHEMBL3652154 0.70 CCNK (0.47)
SCHEMBL8068266 0.69 MET (0.49) NPC1RAB9A
SCHEMBL3653339 0.67 CHRNA3 (0.42) F10NPC1MAPTDHFRALDH1A1
SCHEMBL30879852 0.67 AOC3 (0.42) ALDH1A1

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 5 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
CN-101888877-A Pyridine derivatives for the treatment of amyloid-related diseases SENEXIS LTD 2010-11-17 CN 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 F10 1129/4885MAP4K1 4746/4885NPC1 184/4885

“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.