SCHEMBL3601455

SCHEMBL3601455

Cn1nnc(-c2cc(C(=O)O)sc2-c2cccc3ccccc23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDK2 Q15119 1/20 0.38
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35

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
SCHEMBL3606735 0.82 TRPM8 (0.41) ABCG2TRPM8KDM4EALDH1A1HPGD
SCHEMBL3613736 0.81 MAPK14 (0.46) TRPM8KDM4EALDH1A1HPGDLMNA
SCHEMBL3604637 0.80 HTR2C (0.47) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL3327209 0.79 ABCG2 (0.37) ABCG2TRPM8KDM4EALDH1A1HPGD
SCHEMBL3605195 0.78 TRPM8 (0.55) TRPM8KDM4EALDH1A1LMNAPDK2
SCHEMBL8213584 0.78 PDK2 (0.48) ABCG2KDM4EALDH1A1HPGDLMNA
SCHEMBL3609477 0.77 MAPK14 (0.58) TRPM8KDM4EALDH1A1LMNANOTUM
SCHEMBL3601669 0.76 MAPK1 (0.50) TRPM8KDM4EALDH1A1HPGDLMNA
SCHEMBL3605131 0.74 OPRD1 (0.54) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL3614033 0.74 MAPK8 (0.37) TRPM8KDM4EALDH1A1LMNAPDK2

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 ABCG2 70/4885TRPM8 2375/4885KDM4E 4236/4885

“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.