SCHEMBL4421922

SCHEMBL4421922

COc1cc2c(c(OC)c1)C(c1ccco1)N(C(=O)c1ccc(F)cc1F)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN2C Q14957 3/20 0.43
TRPV1 Q8NER1 1/20 0.42
MTNR1B P49286 1/20 0.42
FKBP1A P62942 2/20 0.42
CPS1 P31327 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 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
SCHEMBL4418766 0.83 MTNR1B (0.51) KMT2ATSHRMEN1MAPK1ALDH1A1
SCHEMBL4416128 0.82 TRPV1 (0.46) KMT2AMEN1TP53RXFP1GRIN2C
SCHEMBL4424502 0.80 NPSR1 (0.43) KMT2AMEN1TP53RXFP1GRIN2C
SCHEMBL4423031 0.80 NPC1 (0.53) KMT2ATSHRMEN1MAPK1ALDH1A1
SCHEMBL4418463 0.79 GRIN2C (0.53) KMT2ATSHRMEN1ALDH1A1MAPT
SCHEMBL4425647 0.79 GRIN2C (0.47) KMT2ATSHRMEN1TP53ALDH1A1
SCHEMBL4418806 0.78 GRIN2C (0.49) KMT2ATSHRMEN1ALDH1A1MAPT
SCHEMBL4417014 0.78 MTNR1B (0.44) TSHRALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4414378 0.75 PKM (0.41) ALDH1A1MAPTGRIN2CMTNR1BFKBP1A
SCHEMBL4416800 0.74 SMN1; SMN2 (0.56) KMT2ATSHRMEN1MAPK1TP53

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
EP-1663983-B1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2009-01-21 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 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-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 KMT2A 1243/4885TSHR 230/4885MEN1 4033/4885

“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.