SCHEMBL6906868

SCHEMBL6906868

O=c1[nH][nH]c(-c2ccc(Cl)cc2)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
DAO P14920 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
GSK3B P49841 1/20 0.40
NOTUM Q6P988 1/20 0.40
SLC11A2 P49281 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
MAPK14 Q16539 1/20 0.40
IKBKB O14920 1/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6906108 0.89 MAPT (0.48) MAPTDAOLMNAGSK3BNOTUM
SCHEMBL6903690 0.83 MAPT (0.45) MAPTDAOLMNAGSK3BNOTUM
SCHEMBL6909011 0.78 GSK3B (0.56) MAPTKDM4ELMNACYP1A2GSK3B
SCHEMBL5215641 0.69 MAPK14 (0.71) GSK3BMAPK14
SCHEMBL16127491 0.67 IKBKB (0.53) MAPTNOTUMIKBKBCNR2
SCHEMBL11178917 0.67 NPC1 (0.44) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL3265916 0.67 MAPK14 (0.53) MAPTKDM4ELMNAHTTGSK3B
SCHEMBL13290027 0.66 MAPT (0.59) MAPTNOTUMIKBKBPGRXDH
SCHEMBL3561082 0.66 MAPT (0.48) MAPTDAOKDM4ELMNACYP1A2
SCHEMBL29678302 0.66 TSHR (0.58) NOTUMPGR

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 3935/4885DAO 1742/4885KDM4E 2079/4885

“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.