SCHEMBL3606449

SCHEMBL3606449

COc1ccc(-c2cc(-c3nnn(C)n3)c(-c3ccc(OC)cc3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
LTA4H P09960 1/20 0.42
APP P05067 1/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 1/20 0.40
PLCG2 P16885 1/20 0.40
OPRD1 P41143 1/20 0.39
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
NPC1 O15118 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 2/20 0.38
PTGS2 P35354 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL3601097 0.86 TRPM8 (0.44) RAB9ASMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL3609666 0.85 TRPM8 (0.47) RAB9ASMN1; SMN2NPC1PTGS2TRPM8
SCHEMBL3609885 0.84 ESR1 (0.56) APPRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3605131 0.82 OPRD1 (0.54) MAPK8MAPK10LTA4HRAB9ASMN1; SMN2
SCHEMBL3601696 0.81 TRPM8 (0.41) TRPM8LMNAESR1ESR2HPGD
SCHEMBL3605751 0.78 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL5192240 0.77 LTA4H (0.64) LTA4HRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL11520829 0.77 ESR1 (0.59) APPRAB9ASMN1; SMN2MAPTOPRD1
SCHEMBL3603115 0.77 ALDH1A1 (0.45) APPRAB9ASMN1; SMN2MAPTPLCG2
SCHEMBL3597248 0.76 HSD17B1 (0.59) MAPTTRPM8ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 MAPK8 3009/4885MAPK10 3344/4885LTA4H 95/4885

“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.