SCHEMBL7801338

SCHEMBL7801338

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.40
KAT2B Q92831 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
NR1I2 O75469 1/20 0.40
UGCG Q16739 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
MAP4K1 Q92918 1/20 0.39
USP2 O75604 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 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
SCHEMBL8184226 0.92 KMT2A (0.46) KMT2AMEN1MAPTPOLBKAT2B
SCHEMBL7799966 0.91 KMT2A (0.45) KMT2AMEN1MAPTPOLBKAT2B
SCHEMBL7799938 0.89 KMT2A (0.43) KMT2AMEN1MAPTPOLBKAT2B
SCHEMBL7801319 0.89 KMT2A (0.43) KMT2AMEN1MAPTPOLBNR1I2
SCHEMBL7799951 0.89 MEN1 (0.49) KMT2AMEN1MAPTPOLBNR1I2
SCHEMBL7799980 0.89 HSD17B10 (0.43) KMT2AMEN1MAPTNR1I2UGCG
SCHEMBL7797946 0.89 KMT2A (0.43) KMT2AMEN1MAPTPOLBNR1I2
SCHEMBL8183726 0.88 KMT2A (0.44) KMT2AMEN1POLBSMN1; SMN2NPC1
SCHEMBL8068248 0.86 MEN1 (0.43) KMT2AMEN1MAPTNR1I2UGCG
SCHEMBL7801356 0.86 KMT2A (0.45) KMT2AMEN1MAPTPOLBNR1I2

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 3408/4885MAPT 353/4885

“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.