SCHEMBL4089965

SCHEMBL4089965

N#Cc1cc(C(=O)Cl)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.47
VNN1 O95497 1/20 0.45
GRM4 Q14833 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
AURKA O14965 2/20 0.42
TPX2 Q9ULW0 2/20 0.42
S1PR3 Q99500 2/20 0.40
TSHR P16473 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
ACACB O00763 1/20 0.38
MAPT P10636 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
S1PR1 P21453 1/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL15867032 0.86 VNN1 (0.56) VCAM1VNN1GRM4MRGPRX4AURKA
SCHEMBL1923911 0.85 TSHR (0.59) VCAM1VNN1GRM4MRGPRX4AURKA
SCHEMBL13082394 0.84 ALDH1A1 (0.43) S1PR3MAPTTRPV4KCNQ3KCNQ2
SCHEMBL30950126 0.84 ALDH1A1 (0.43) S1PR3MAPTTRPV4KCNQ3KCNQ2
SCHEMBL24494667 0.83 VCAM1 (0.46) VCAM1VNN1GRM4MRGPRX4AURKA
SCHEMBL8139092 0.83 VCAM1 (0.46) VCAM1VNN1GRM4MRGPRX4AURKA
SCHEMBL4155009 0.81 VCAM1 (0.45) VCAM1VNN1GRM4MRGPRX4AURKA
SCHEMBL26690139 0.81 CA1 (0.38) S1PR3TSHRSLC22A12KCNQ3KCNQ2
SCHEMBL8060674 0.80 VNN1 (0.45) VCAM1VNN1GRM4MRGPRX4AURKA
SCHEMBL22501675 0.79 GRM4 (0.44) GRM4S1PR3MAPTKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325465-B1 PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed
WO-2017012970-A2 PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-01-26 WO disclosed
US-20090118274-A1 MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20080269241-A1 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-10-30 US disclosed
WO-2008100620-A2 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100635-A1 1- [3- (MONOCYCLIC AMINO) PROPYL] - 4, 5, 6, 7-TETRAHYDRO-1H-PYRAZOLO [4, 3-C] -PYRIDINES AS MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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 (2 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-20080269241-A1 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ VCAM1 1435/4885VNN1 2279/4885GRM4 2567/4885
US-20090118274-A1 MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ VCAM1 1161/4885VNN1 2318/4885GRM4 2365/4885

“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.