SCHEMBL3105082

SCHEMBL3105082

[S]Cc1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
CYP2A6 P11509 2/20 0.50
F12 P00748 1/20 0.50
NCF1 P14598 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
BACE1 P56817 1/20 0.50
PLG P00747 1/20 0.42
ACHE P22303 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
CYP3A4 P08684 3/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL291937 0.83 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL242954 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3250398 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3248709 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2792111 0.79 PLAU (0.55) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3112515 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2646977 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3294474 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL243297 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL873259 0.79 CYP2A6 (0.55) PLAUCYP2A6F12NCF1NOS3

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 PLAU 900/4885CYP2A6 1122/4885F12 91/4885

“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.