SCHEMBL1046356

SCHEMBL1046356

COCc1ccc(Cl)c(C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
S1PR4 O95977 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NTRK1 P04629 1/20 0.36
ATM Q13315 1/20 0.36
NOTUM Q6P988 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1424336 0.85 NPSR1 (0.42) KMOKMT2AS1PR4MRGPRX4KDM4E
SCHEMBL9869319 0.81 POLB (0.41) KMOS1PR4TDP1KDM4EALDH1A1
SCHEMBL2160590 0.80 HCAR2 (0.36) KMOHSD17B10MEN1KMT2AS1PR4
SCHEMBL13759993 0.79 KMT2A (0.42) KMOHSD17B10MEN1KMT2AS1PR4
SCHEMBL920438 0.78 S1PR4 (0.46) KMOS1PR4MRGPRX4TDP1NTRK1
SCHEMBL17239417 0.76 S1PR4 (0.53) S1PR4CYP2C19TDP1ALDH1A1NOTUM
SCHEMBL27633831 0.74 KMO (0.39) KMOHSD17B10MRGPRX4TDP1KDM4E
SCHEMBL22102940 0.74 PDE10A (0.35) KMOKDM4EHCAR2
SCHEMBL3864386 0.74 TDP1 (0.51) KMOHSD17B10MEN1KMT2ACYP2C9
SCHEMBL1424280 0.73 TDP1 (0.40) KMOHSD17B10TDP1KDM4EALDH1A1

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
US-8846658-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CN) 2014-04-24 US disclosed
US-8207164-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-06-26 US disclosed
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG 2011-01-27 US disclosed
CN-100519532-C 6-alkyl-or alkenyl-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-07-29 CN disclosed
CN-1764646-A 6-alkyl-or alkenyl-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2006-04-26 CN 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-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C KMO 485/4885HSD17B10 656/4885MEN1 2243/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C KMO 485/4885HSD17B10 656/4885MEN1 2243/4885

“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.