SCHEMBL547502

SCHEMBL547502

Clc1sccc1-c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
CYP17A1 P05093 1/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
PRKCZ Q05513 1/20 0.36
RAB9A P51151 2/20 0.33
IDO1 P14902 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK14 Q16539 2/20 0.32
GCGR P47871 1/20 0.32
ALAD P13716 1/20 0.32
FBP1 P09467 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL547061 0.82 CYP2A6 (0.50) CYP2A6MAPTSMN1; SMN2LMNACYP17A1
SCHEMBL7451509 0.78 CYP2A6 (0.56) CYP2A6SMN1; SMN2CYP17A1ALDH1A1MAPK1
SCHEMBL8649337 0.77 CYP2A6 (0.60) CYP2A6CYP17A1ALDH1A1MAPK1CYP1A2
SCHEMBL1521833 0.74 CYP2A6 (0.47) CYP2A6CYP17A1
SCHEMBL28580716 0.74 ALDH1A1 (0.36) CYP2A6MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL4124688 0.74 CYP17A1 (0.46) CYP2A6MAPTSMN1; SMN2CYP17A1ALDH1A1
SCHEMBL2950828 0.72 RXRA (0.47) CYP2A6SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6920647 0.71 PTGS1 (0.39) CYP2A6MAPTSMN1; SMN2LMNAALDH1A1
Formic Acid SCHEMBL10703550 0.70 CYP2A6 (0.44) CYP2A6MAPTCYP17A1ALDH1A1MAPK1
SCHEMBL3127775 0.70 PGR (0.44) CYP2A6MAPTSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110684-B2 Diaza-spiro [4.5] decanes useful as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-20100227862-A1 DIAZA-SPIRO [4.5] DECANES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-09-09 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-20100227862-A1 DIAZA-SPIRO [4.5] DECANES USEFUL AS PESTICIDES DDT, CHRM1, DECR1 CYP2A6 1484/4885MAPT 4822/4885SMN1; SMN2 638/4885

“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.