SCHEMBL3222406

SCHEMBL3222406

C#C[CH]c1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HSD17B3 P37058 1/20 0.46
HSD11B1 P28845 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.38
CISD1 Q9NZ45 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
SLC6A19 Q695T7 1/20 0.37
BACE1 P56817 1/20 0.37
PYCR1 P32322 1/20 0.36
POLB P06746 1/20 0.36
PLEC Q15149 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1B1 Q16678 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
SCHEMBL334039 0.76
SCHEMBL10551649 0.75 NPSR1 (0.40) ALDH1A1MAPTNPSR1MAOAMAOB
SCHEMBL4235837 0.75
SCHEMBL3220925 0.74 TP53 (0.54) ALDH1A1MAPTMAPK1MAOAMAOB
SCHEMBL3230994 0.74 CYP19A1 (0.52) ALDH1A1MAPTNPSR1MAPK1MAOA
SCHEMBL3221530 0.74 NFE2L2 (0.58) MAPK1MAOAMAOBCYP2D6
SCHEMBL3218827 0.74 CHRM5 (0.52) ALDH1A1MAPTMAOAMAOBPIM1
SCHEMBL3226191 0.74 LCK (0.52) ALDH1A1MAPTMAOAMAOB
SCHEMBL10932208 0.74 CA12 (0.41) TDP1CYP1B1
SCHEMBL699462 0.74 HSD17B3 (0.65) ALDH1A1HSD17B3HSD11B1MAPTNPSR1

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 ALDH1A1 1958/4885HSD17B3 4106/4885HSD11B1 4263/4885

“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.