SCHEMBL2291399

SCHEMBL2291399

COC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
TSHR P16473 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
ELANE P08246 1/20 0.58
PRTN3 P24158 1/20 0.58
NR4A2 P43354 1/20 0.57
KDM4E B2RXH2 4/20 0.56
HPGD P15428 4/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 3/20 0.54
APOBEC3A P31941 1/20 0.54

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
SCHEMBL10396449 0.84 MAOB (0.74) MAOAMAOBNR4A2SMN1; SMN2NPC1
SCHEMBL2296469 0.84 TSHR (0.59) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL2291513 0.83 KDM4E (0.69) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL6338190 0.80 KDM4E (0.66) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL11045073 0.80 F10 (0.77) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL1123414 0.80 SMN1; SMN2 (0.61) MAOAMAOBCYP1A2CYP2C19NR4A2
SCHEMBL2290505 0.79 KDM4E (0.67) MAOBTSHRCYP1A2CYP2D6CYP2C19
SCHEMBL2290679 0.79 HPGD (0.78) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL2294814 0.78 SENP7 (0.74) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL2291128 0.78 KDM4E (0.66) TSHRCYP1A2CYP2D6CYP2C19ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247637-A1 Novel Anthranilic Acid Derivatives DEHMLOW HENRIETTA 2009-10-01 US claimed
JP-2008546661-A 2008-12-25 JP claimed
EP-1896396-A1 ANTHRANILIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-03-12 EP claimed
WO-2006134040-A1 ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-21 WO claimed
US-20060281810-A1 Novel anthranilic acid derivatives HOFFMANN-LA ROCHE INC. 2006-12-14 US claimed
US-7989657-B2 Anthranilic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090247637-A1 Novel Anthranilic Acid Derivatives DEHMLOW HENRIETTA 2009-10-01 US disclosed
EP-1896396-A1 ANTHRANILIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-03-12 EP disclosed
WO-2006134040-A1 ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-21 WO disclosed
US-20060281810-A1 Novel anthranilic acid derivatives HOFFMANN-LA ROCHE INC. 2006-12-14 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-20060281810-A1 Novel anthranilic acid derivatives GPR84, HCAR1, GPR88 MAOA 80/4885MAOB 627/4885TSHR 585/4885
US-20090247637-A1 Novel Anthranilic Acid Derivatives GPR84, GPR88, HCAR1 MAOA 123/4885MAOB 827/4885TSHR 684/4885

“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.