SCHEMBL6288766

SCHEMBL6288766

O=C1Nc2ccccc2C1(F)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MAPT P10636 5/20 0.50
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
CHRM2 P08172 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 2/20 0.41
BACE1 P56817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
RUNX1 Q01196 1/20 0.41

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
SCHEMBL29588465 1.00 LMNA (0.61) LMNAMAPTPDK2PDK4CHRM2
SCHEMBL2715686 0.76 LMNA (1.00) LMNAMAPTPDK2PDK4CHRM2
SCHEMBL318947 0.75 PDK2 (0.57) LMNAMAPTPDK2PDK4CHRM2
SCHEMBL29651321 0.75 PDK2 (0.57) LMNAMAPTPDK2PDK4CHRM2
SCHEMBL31306897 0.73 KMT2A (0.66) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL18197230 0.73 LMNA (0.61) LMNAMAPTPDK2PDK4CHRM2
SCHEMBL4548022 0.73 LMNA (0.61) LMNAMAPTPDK2PDK4CHRM2
SCHEMBL18552443 0.73 KMT2A (0.66) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL18025761 0.73 KMT2A (0.66) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL209276 0.73 KMT2A (0.66) LMNAPDK2PDK4CHRM2ADORA3

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 13 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-1363624-A2 FLUORO OXINDOLE DERIVATIVES AS MODULATORS OF KCNQ POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
EP-1363624-A2 FLUORO OXINDOLE DERIVATIVES AS MODULATORS OF KCNQ POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
WO-2002066426-A3 FLUORO OXINDOLE DERIVATIVES AS MODULATORS OF KCNQ POTASSIUM CHANNELS BRISTOL MYERS SQUIBB CO (US) 2002-11-21 WO disclosed
US-20020156120-A1 Fluoro oxindole derivatives as modulators of KCNQ potassium channels BRISTOL-MYERS SQUIBB COMPANY 2002-10-24 US disclosed
US-20020156120-A1 Fluoro oxindole derivatives as modulators of KCNQ potassium channels BRISTOL-MYERS SQUIBB COMPANY 2002-10-24 US disclosed
US-6469042-B1 ANALGESICS FOR MIGRAINES BRISTOL-MYERS SQUIBB COMPANY 2002-10-22 US disclosed
US-6469042-B1 ANALGESICS FOR MIGRAINES BRISTOL-MYERS SQUIBB COMPANY 2002-10-22 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-2002066426-A2 FLUORO OXINDOLE DERIVATIVES AS MODULATORS OF KCNQ POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-29 WO disclosed
WO-2002066426-A2 FLUORO OXINDOLE DERIVATIVES AS MODULATORS OF KCNQ POTASSIUM CHANNELS 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 LMNA 2397/4885MAPT 3035/4885PDK2 1842/4885
US-20020156120-A1 Fluoro oxindole derivatives as modulators of KCNQ potassium channels KCNQ1, KCNQ2, KCNQ3 LMNA 3724/4885MAPT 4514/4885PDK2 1222/4885

“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.