SCHEMBL5259586

SCHEMBL5259586

O=c1[c]cn2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
KDM4E B2RXH2 7/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 2/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36

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
SCHEMBL1313153 0.69 PTGS1 (0.47) PTGS1PTGS2MAPTCYP1A2CYP3A4
Bromide SCHEMBL11379414 0.68 PTGS1 (0.46) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL3320 0.67
SCHEMBL13218389 0.65 PTGS1 (0.52) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL30816732 0.65 PTGS1 (0.43) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL31731985 0.64 RAB9A (0.67) PTGS1PTGS2MAPTNPC1RAB9A
SCHEMBL28648562 0.64 PTGS1 (0.50) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL2079932 0.63 PTGS1 (0.58) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL3313092 0.63 RAB9A (0.65) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL9570362 0.61 KDM4E (0.56) PTGS1PTGS2MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP claimed
JP-2005527586-A 2005-09-15 JP claimed
US-20050154202-A1 Substituted aryl amides MERCK & CO., INC. 2005-07-14 US claimed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP claimed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO claimed
EP-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP disclosed
US-20050154202-A1 Substituted aryl amides MERCK & CO., INC. 2005-07-14 US disclosed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO 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-20050154202-A1 Substituted aryl amides CNR1, CNR2, FAAH PTGS1 1134/4885PTGS2 1892/4885MAPT 1064/4885

“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.