SCHEMBL7797922

SCHEMBL7797922

COc1cc(OC)c(C(=O)Nc2cccc3c2CCN(C)C3)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPK1 P28482 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAP3K5 Q99683 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ROCK2 O75116 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL7800095 0.93 MAP3K5 (0.45) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL7797950 0.93 KDM4E (0.44) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL7799945 0.92 KMT2A (0.46) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL7109075 0.92 MAPT (0.50) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL7799989 0.90 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL7792101 0.90 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL7798063 0.89 KMT2A (0.43) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL8185612 0.89 KMT2A (0.46) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL8175290 0.88 KMT2A (0.48) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL8184618 0.88 KMT2A (0.46) KDM4EALDH1A1KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 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 (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-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A KDM4E 910/4885ALDH1A1 494/4885KMT2A 445/4885

“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.