SCHEMBL6288528

SCHEMBL6288528

O=C(NCc1ccc(C(F)(F)F)cc1)c1cnc(Cl)nc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 7/20 0.68
NFKB1 P19838 7/20 0.68
LMNA P02545 1/20 0.62
XPO1 O14980 4/20 0.58
JUN P05412 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
CNR2 P34972 8/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
GLA P06280 1/20 0.53

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
SCHEMBL4745582 0.89 CNR2 (0.69) ATF1NFKB1LMNAXPO1CNR2
SCHEMBL6990873 0.89 NFKB1 (0.57) ATF1NFKB1LMNAJUNNFKB2
SCHEMBL6990055 0.81 TP53 (0.50) ATF1NFKB1LMNA
SCHEMBL6288117 0.80 ATF1 (0.55) ATF1NFKB1LMNACNR2GLA
SCHEMBL2307377 0.79 NFKB1 (0.61) ATF1NFKB1LMNAXPO1JUN
SCHEMBL7489466 0.77 NFKB1 (0.59) ATF1NFKB1LMNAXPO1JUN
SCHEMBL8544541 0.77 JUN (0.67) ATF1NFKB1LMNAXPO1JUN
SCHEMBL5079086 0.75 CNR2 (0.84) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3089627 0.75 HTT (0.58) CNR2GLA
SCHEMBL31023447 0.74 PPARA (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855829-B2 3-fluoro-2-oxindole modulators of KCNQ potassium channels and use thereof in treating migraine and mechanistically related disease BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-15 US disclosed
EP-1441722-A2 MODULATORS OF KCNQ POTASSIUM CHANNELS AND USE THEREOF IN TREATING MIGRAINE AND MECHANISTICALLY RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-04 EP disclosed
EP-1361879-A1 2,4-DISUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-19 EP disclosed
US-20020183335-A1 Administering disubstituted pyrimidine-5-carboxamide derivatives for therapy of disorders responsive to the modulation of the potassium channels BRISTOL-MYERS SQUIBB COMPANY 2002-12-05 US disclosed
WO-2002072088-A2 MODULATORS OF KCNQ POTASSIUM CHANNELS AND USE THEREOF IN TREATING MIGRAINE AND MECHANISTICALLY RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-19 WO disclosed
US-20020128277-A1 Modulators of KCNQ potassium channels and use thereof in treating migraine and mechanistically related diseases BRISTOL-MYERS SQUIBB COMPANY 2002-09-12 US disclosed
WO-2002066036-A1 2,4-DISUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-29 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-20020128277-A1 Modulators of KCNQ potassium channels and use thereof in treating migraine and mechanistically related diseases KCNQ5, KCNQ2, KCNQ1 ATF1 3699/4885NFKB1 1847/4885LMNA 2397/4885
US-20020183335-A1 Administering disubstituted pyrimidine-5-carboxamide derivatives for therapy of disorders responsive to the modulation of the potassium channels KCNQ5, KCNQ1, KCNQ2 ATF1 1744/4885NFKB1 1080/4885LMNA 1376/4885

“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.