SCHEMBL364796

SCHEMBL364796

COc1ccc(Cl)cc1C(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
ADRA1A P35348 2/20 0.45
CYP2D6 P10635 1/20 0.45
LPAR1 Q92633 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41

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
SCHEMBL21136940 0.86 MEN1 (0.45) ADRA2AADRA1ACYP2D6LPAR1ALDH1A1
SCHEMBL6239164 0.85 LPAR1 (0.44) LPAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL84489 0.84 LPAR1 (0.50) CYP2D6LPAR1ALDH1A1MEN1KMT2A
SCHEMBL8782180 0.82 ADRA2A (0.69) ADRA2AADRA1ACYP2D6LPAR1ALDH1A1
SCHEMBL25456073 0.81 MEN1 (0.42) CYP2D6LPAR1ALDH1A1MEN1KMT2A
SCHEMBL20868996 0.81 LMNA (0.55) ADRA2AADRA1ACYP2D6LPAR1ALDH1A1
SCHEMBL1748248 0.81 LMNA (0.55) ADRA2AADRA1ACYP2D6LPAR1ALDH1A1
SCHEMBL16951333 0.81 LPAR1 (0.41) ADRA2AADRA1ACYP2D6LPAR1ALDH1A1
SCHEMBL20868717 0.80 ALDH1A1 (0.44) ADRA2AADRA1ALPAR1ALDH1A1MEN1
SCHEMBL16075896 0.80 CYP2D6 (0.47) CYP2D6LPAR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020230132-A1 COMPOSITIONS FOR CROP PROTECTION AGREMATCH LTD. (IL) 2020-11-19 WO disclosed
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
EP-2593427-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2013-05-22 EP disclosed
WO-2012007883-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012007883-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US 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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A ADRA2A 617/4885ADRA1A 191/4885CYP2D6 671/4885

“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.