SCHEMBL5257553

SCHEMBL5257553

O=C(Cc1cncc(Br)c1)NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
SMYD3 Q9H7B4 2/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 6/20 0.46
NPC1 O15118 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
SELE P16581 1/20 0.44
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL3515284 0.79 KDM4E (0.45) SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3216193 0.76 SIGMAR1 (0.71) LMNASMYD3KMT2ASIGMAR1RAB9A
SCHEMBL9115930 0.76 KDM4E (0.46) SMN1; SMN2KDM4E
SCHEMBL23973830 0.76 NPC1 (0.61) LMNAALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL9118287 0.75 FFAR2 (0.45) LMNAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL3213006 0.75 LMNA (0.69) LMNAALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL29598214 0.74 POLB (0.52) SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL334406 0.74 POLB (0.52) SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL5258490 0.74 SMYD3 (0.86) LMNASMYD3ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL31555021 0.74 SMYD3 (0.86) LMNASMYD3ALDH1A1SMN1; SMN2L3MBTL1

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
EP-1517895-B1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-03-14 EP disclosed
US-7153968-B2 8-(biaryl)quinoline PDE4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2006-12-26 US disclosed
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-10-20 US disclosed
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 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-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors IL4, PDE4A, PDE4C LMNA 3250/4885SMYD3 3594/4885ALDH1A1 1085/4885

“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.