SCHEMBL3607272

SCHEMBL3607272

NNC(=O)c1cccc(Cl)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.61
PLAU P00749 2/20 0.56
PLAT P00750 2/20 0.56
F2 P00734 1/20 0.56
F10 P00742 1/20 0.56
P2RX1 P51575 1/20 0.53
P2RX4 Q99571 1/20 0.53
P2RX7 Q99572 1/20 0.53
TMPRSS4 Q9NRS4 1/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TAS1R3 Q7RTX0 5/20 0.49
TAS1R1 Q7RTX1 5/20 0.49
TAS1R2 Q8TE23 5/20 0.49
ALOX15 P16050 1/20 0.49
POLB P06746 1/20 0.48
KLK1 P06870 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL7600310 0.85 MAPT (0.53) P2RX7MAPTKDM4EALDH1A1POLB
SCHEMBL4384455 0.84 TAS1R3 (0.60) P2RX7MAPTKDM4EALDH1A1TAS1R3
SCHEMBL406614 0.83 POLB (0.69) MAPTKDM4EALDH1A1POLBCA1
SCHEMBL10558954 0.82 ALDH1A1 (0.50) KLKB1P2RX7MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2452557 0.82 POLB (0.67) MAPTKDM4EALDH1A1POLBCA1
SCHEMBL8409274 0.81 ALDH1A1 (0.54) KLKB1PLAUPLATF2F10
SCHEMBL17738209 0.81 KAT6A (0.54) KLKB1P2RX7MAPTKDM4EALDH1A1
SCHEMBL16054667 0.81 TAS1R3 (0.52) P2RX7MAPTKDM4EALDH1A1TAS1R3
SCHEMBL25364346 0.79 PBRM1 (0.53) KLKB1MAPTKDM4EALDH1A1POLB
SCHEMBL28763778 0.79 HPGD (0.53) KLKB1PLAUPLATF2F10

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
WO-2010083314-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
CN-101553486-A Oxadiazole and thiadiazole compounds and their use as nicotinic acetylcholine receptor modulators NEUROSEARCH AS (DK) 2009-10-07 CN disclosed
EP-2079734-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2009-07-22 EP disclosed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 KLKB1 2194/4885PLAU 3811/4885PLAT 1177/4885

“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.