SCHEMBL3220925

SCHEMBL3220925

C#C[CH]c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ACHE P22303 4/20 0.46
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
ALOX5 P09917 1/20 0.44
RELA Q04206 1/20 0.43
FBP1 P09467 1/20 0.43
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 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
SCHEMBL7218728 0.78 TP53 (0.54) TP53TDP1NPC1CASP3SENP8
SCHEMBL10549833 0.75 ADAMTS5 (0.46) TDP1NPC1PTGS1PTGS2ALOX5
SCHEMBL3209248 0.75
SCHEMBL3222406 0.74 ALDH1A1 (0.54) TDP1ALDH1A1MAPK1PIM1PIM2
SCHEMBL10932208 0.74 CA12 (0.41) TDP1NPC1FBP1RAB9A
SCHEMBL3221530 0.74 NFE2L2 (0.58) NPC1PTGS1PTGS2RELAFBP1
SCHEMBL3226191 0.74 LCK (0.52) FBP1ALDH1A1MAPTMAOAMAOB
SCHEMBL3230994 0.74 CYP19A1 (0.52) TDP1NPC1ALDH1A1MAPK1MAPT
SCHEMBL3218827 0.74 CHRM5 (0.52) RELAFBP1CYP1A2ALDH1A1PIM1
SCHEMBL1795132 0.74 PTGS1 (0.69) TP53TDP1NPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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 (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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 TP53 4316/4885TDP1 1863/4885NPC1 3639/4885

“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.