SCHEMBL3601097

SCHEMBL3601097

COc1cccc(-c2cc(-c3nnn(C)n3)c(-c3cccc(OC)c3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 3/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL3606449 0.86 MAPK8 (0.43) TRPM8MAPK1RAB9AMAPTALDH1A1
SCHEMBL3601669 0.83 MAPK1 (0.50) TRPM8MAPK1RAB9AMAPTALDH1A1
SCHEMBL3597248 0.83 HSD17B1 (0.59) TRPM8MAPTCYP3A4CYP2C9HSD17B1
SCHEMBL3607560 0.82 PDE4D (0.44) TRPM8RAB9ANPC1HPGDHSD17B1
SCHEMBL13846213 0.80 MAPK1 (0.61) MAPK1RAB9AMAPTALDH1A1NPC1
SCHEMBL3605066 0.80 NPC1 (0.44) TRPM8RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL3610616 0.79 NPSR1 (0.48) TRPM8RAB9AMAPTALDH1A1NPC1
SCHEMBL3609666 0.77 TRPM8 (0.47) TRPM8RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3609885 0.76 ESR1 (0.56) TRPM8RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL11520185 0.74 HSD17B1 (0.56) RAB9AMAPTALDH1A1NPC1SMN1; SMN2

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 TRPM8 2375/4885MAPK1 2809/4885RAB9A 3435/4885

“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.