SCHEMBL5365864

SCHEMBL5365864

COc1cccc(C(=O)c2cccnc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
CYP2C8 P10632 1/20 0.49
PARP1 P09874 1/20 0.49
NFE2L2 Q16236 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
STS P08842 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47

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
SCHEMBL7439343 0.84 KMT2A (0.63) KMT2AMEN1LMNAPOLBRECQL
SCHEMBL8569592 0.83 CDK5 (0.53) CES2CES1KMT2AMEN1RAB9A
SCHEMBL28747256 0.83 CES2 (0.51) CES2CES1KMT2AMEN1LMNA
SCHEMBL8694860 0.82 KMT2A (0.56) CES2CES1KMT2AMEN1POLB
SCHEMBL7370589 0.82 ALDH1A1 (0.55) CES2CES1KMT2AMEN1LMNA
SCHEMBL7369720 0.81 ELANE (0.49) CES2CES1KMT2AMEN1POLB
SCHEMBL3244377 0.81 CES2 (0.49) CES2CES1KMT2AMEN1RAB9A
SCHEMBL7364528 0.80 HTT (0.56) CES2CES1KMT2AMEN1LMNA
SCHEMBL7362471 0.78 PKM (0.49) CES2CES1KMT2AMEN1POLB
SCHEMBL4960341 0.78 USP2 (0.52) CES2CES1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP disclosed
EP-1216244-A1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP disclosed
WO-2001019821-A1 BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2001-03-22 WO disclosed
US-4736037-A 2-halo-aryl-pyridinemethanols with analgesic or antiinflammatory activity LACER, S.A. (ES) 1988-04-05 US disclosed
US-4614833-A 2-halo-pyridines LACER, S.A. (ES) 1986-09-30 US disclosed
EP-0032516-B1 NEW 2-HALO-PYRIDINES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS LACER, S.A. (ES) 1984-05-02 EP disclosed
EP-0032516-A1 New 2-halo-pyridines, their production and pharmaceutical compositions LACER, S.A. (ES) 1981-07-29 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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 CES2 749/4885CES1 1886/4885KMT2A 2351/4885

“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.