SCHEMBL6906108

SCHEMBL6906108

O=c1[nH][nH]c(-c2ccccc2)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
CNR2 P34972 1/20 0.48
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
DAO P14920 3/20 0.44
SCN2A Q99250 1/20 0.43
NOTUM Q6P988 1/20 0.43
SLC11A2 P49281 1/20 0.43
IKBKB O14920 1/20 0.43
XDH P47989 1/20 0.42
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 1/20 0.41
MAP4K4 O95819 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
SCHEMBL6903690 0.94 MAPT (0.45) MAPTCNR2MAPK13RAF1MAPK9
SCHEMBL6906868 0.89 MAPT (0.50) MAPTCNR2MAPK14DAONOTUM
SCHEMBL3265916 0.78 MAPK14 (0.53) MAPTMAPK9MAPK14ALDH1A1LMNA
SCHEMBL29420699 0.72 KIF11 (0.62) CNR2SCN2ANOTUMADORA1ALDH1A1
SCHEMBL307920 0.72 KIF11 (0.62) CNR2SCN2ANOTUMADORA1ALDH1A1
SCHEMBL22978405 0.72 CNR2 (0.53) MAPTCNR2SCN2AIKBKBADORA1
SCHEMBL16127491 0.71 IKBKB (0.53) MAPTCNR2SCN2ANOTUMIKBKB
SCHEMBL26821704 0.70 KIF11 (0.67) CNR2SCN2AADORA1ALDH1A1MAOB
SCHEMBL24106776 0.70 KIF11 (0.67) CNR2SCN2AADORA1ALDH1A1MAOB
SCHEMBL13290027 0.70 MAPT (0.59) MAPTCNR2NOTUMIKBKBXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673923-B2 PYRAZOLE AND PYRAZOLONE DERIVATIVES, USEFUL AS RNA POLYMERASE INHIBITORS AND ANTIBIOTICS TULARIK INC. 2004-01-06 US disclosed
US-20020049205-A1 Pyrazole antimicrobial agents AMGEN INC. 2002-04-25 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 (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-20020049205-A1 Pyrazole antimicrobial agents POLRMT, POLR1C, RNGTT MAPT 3935/4885CNR2 4550/4885MAPK13 3872/4885

“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.