SCHEMBL2218115

SCHEMBL2218115

CCOC(=O)c1c(Oc2cc(Cl)ccc2Cl)cc(C)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 5/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2216495 0.84 SMN1; SMN2 (0.51) MAPTGAAALDH1A1HPGDKMT2A
Lithium Ion SCHEMBL2216491 0.82 SMN1; SMN2 (0.40) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL1628027 0.79 ALDH1A1 (0.47) GAAALDH1A1HPGDPOLBLMNA
SCHEMBL14661145 0.79 POLB (0.47) MAPTGAANPSR1ALDH1A1HPGD
SCHEMBL31336305 0.77 SMN1; SMN2 (0.50) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL1059732 0.77 SMN1; SMN2 (0.50) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL10736055 0.75 SMN1; SMN2 (0.61) MAPTGAANPSR1ALDH1A1HPGD
SCHEMBL31336328 0.73 KMT2A (0.47) MAPTGAANPSR1ALDH1A1HPGD
SCHEMBL28047041 0.73 MAPT (0.52) MAPTGAANPSR1GPR55ALDH1A1
SCHEMBL28109642 0.73 GPBAR1 (0.58) MAPTALDH1A1HPGDCASP1GPBAR1

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-2526096-B1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-04-22 EP disclosed
US-8729091-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-8420647-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
WO-2011089099-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 WO disclosed
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-07-21 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 (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-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 MAPT 3655/4885GAA 1442/4885NPSR1 469/4885
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 MAPT 3655/4885GAA 1442/4885NPSR1 469/4885

“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.