SCHEMBL6190835

SCHEMBL6190835

OCCCc1ccc(Nc2c(-c3nnc(NCCN4CCOCC4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.45
KCNH2 Q12809 13/20 0.45
CHRNA1 P02708 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRNB2 P17787 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRNA4 P43681 1/20 0.44
MAP3K8 P41279 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CSF1R P07333 1/20 0.37
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 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
SCHEMBL6190172 0.95 CHRNA7 (0.44) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6207286 0.94 CHRNA7 (0.40) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6399220 0.89 CHRNA7 (0.43) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6403862 0.88 CHRNA7 (0.42) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6189562 0.87 CHRNA7 (0.44) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6403620 0.85 CHRNA7 (0.48) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL15598681 0.85 CHRNA7 (0.44) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6207045 0.85 MAP2K2 (0.47) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL29371646 0.85 MAP2K2 (0.47) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6189558 0.83 CHRNA7 (0.51) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US claimed
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP disclosed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US disclosed
US-20050002859-A1 COX-2-targeted imaging agents VANDERBILT UNIVERSITY (US) 2005-01-06 US disclosed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 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 (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-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 CHRNA7 4667/4885KCNH2 3852/4885CHRNA1 4381/4885
US-20050002859-A1 COX-2-targeted imaging agents PTGS2, PTGES2, PTGER2 CHRNA7 3858/4885KCNH2 4710/4885CHRNA1 4260/4885

“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.