SCHEMBL1505330

SCHEMBL1505330

COCCOc1ncc(Cl)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
TACR2 P21452 1/20 0.41
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
PTGER4 P35408 9/20 0.40
MAPK1 P28482 4/20 0.39
PTGER2 P43116 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11452714 0.86 CYP1A2 (0.45) KDM4EPTGER4PTGER2CYP1A2CYP3A4
SCHEMBL11453574 0.85 MEN1 (0.47) CNR1KDM4EPTGER4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11551619 0.84 MEN1 (0.46) CNR1KDM4EPTGER4CYP1A2CYP3A4
SCHEMBL11462160 0.84 PTPN11 (0.48) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11463145 0.83 KMT2A (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30990046 0.83 KMT2A (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11471402 0.82 PTPN11 (0.50) SGMS2
SCHEMBL4018803 0.82 MAPK1 (0.43) KDM4EPTGER4MAPK1PTGER2
SCHEMBL9653496 0.82 KDM4E (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30990017 0.82 KDM4E (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 WO disclosed
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 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-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 PLAU 4746/4885PRKAB2 4556/4885PRKAG1 4075/4885

“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.