SCHEMBL3335656

SCHEMBL3335656

N#Cc1c[c]cc(Cc2c[c]cc(C#N)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.35
CYP2A6 P11509 1/20 0.33
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GLA P06280 1/20 0.30

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
SCHEMBL28302773 0.82 LOXL2 (0.50) LOXL2CYP2A6
SCHEMBL16958767 0.82 GRM5 (0.33) LOXL2CYP2A6
SCHEMBL28049287 0.82 GRM5 (0.31) LOXL2CYP2A6
SCHEMBL6958311 0.82 KDM4E (0.34) LOXL2CYP2A6
SCHEMBL458972 0.82 CYP2A6 (0.50) LOXL2CYP2A6GLA
SCHEMBL6965146 0.82 CYP2A6 (0.31) LOXL2CYP2A6
SCHEMBL27491 0.79 TSHR (0.38) LOXL2CYP2A6
SCHEMBL16959461 0.79 MEN1 (0.38) LOXL2CYP2A6HRH3GLA
SCHEMBL6958848 0.79 CYP2A6 (0.33) LOXL2CYP2A6GLA
SCHEMBL9644543 0.77 GLA (0.36) LOXL2CYP2A6GLA

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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation BIOLIPOX AB 2010-06-10 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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R LOXL2 22/4885CYP2A6 362/4885SAE1 3264/4885

“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.