SCHEMBL7801356

SCHEMBL7801356

CCOc1cc(CC)c(S(C)(=O)=O)cc1C(=O)Nc1cccc2c1CCN(C)C2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.41
HSD17B10 Q99714 2/20 0.40
MRGPRX1 Q96LB2 5/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NR1I2 O75469 1/20 0.38
UGCG Q16739 1/20 0.38

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
SCHEMBL7792150 0.89 KMT2A (0.44) KMT2AMEN1POLBHSD17B10MAPT
SCHEMBL7797946 0.86 KMT2A (0.43) KMT2AMEN1POLBHSD17B10LMNA
SCHEMBL7799951 0.86 MEN1 (0.49) KMT2AMEN1POLBMRGPRX1LMNA
SCHEMBL7801338 0.86 KMT2A (0.45) KMT2AMEN1POLBMAPTNR1I2
SCHEMBL7799980 0.86 HSD17B10 (0.43) KMT2AMEN1HSD17B10LMNAMAPT
SCHEMBL7801319 0.86 KMT2A (0.43) KMT2AMEN1POLBLMNAMAPT
SCHEMBL7799922 0.85 KMT2A (0.43) KMT2AMEN1POLBMAPTNR1I2
SCHEMBL8068248 0.84 MEN1 (0.43) KMT2AMEN1MAPTNR1I2UGCG
SCHEMBL7797937 0.83 KMT2A (0.44) KMT2AMEN1POLBMAPTNR1I2
SCHEMBL7802459 0.83 KMT2A (0.43) KMT2AMEN1POLBMAPTNR1I2

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 KMT2A 445/4885MEN1 3408/4885POLB 3366/4885

“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.