SCHEMBL7797985

SCHEMBL7797985

COc1cc2c(cc1C(=O)Nc1cccc3c1CCN(C)C3)C(=O)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAP3K5 Q99683 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
BRD9 Q9H8M2 2/20 0.40
BRD4 O60885 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
BRPF1 P55201 1/20 0.39

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
SCHEMBL7109075 0.87 MAPT (0.50) KMT2AMEN1MAPK1SMN1; SMN2USP2
SCHEMBL7797989 0.86 MEN1 (0.51) KMT2AMEN1MAPK1SMN1; SMN2USP2
SCHEMBL8184618 0.85 KMT2A (0.46) KMT2AMEN1MAPK1SMN1; SMN2USP2
SCHEMBL7801364 0.84 KMT2A (0.56) KMT2AMEN1MAPK1SMN1; SMN2USP2
SCHEMBL8184601 0.84 KMT2A (0.49) KMT2AMEN1MAPK1SMN1; SMN2USP2
SCHEMBL8185612 0.84 KMT2A (0.46) KMT2AMEN1MAPK1SMN1; SMN2USP2
SCHEMBL8184303 0.83 MEN1 (0.64) KMT2AMEN1MAPK1SMN1; SMN2USP2
SCHEMBL7797922 0.83 KDM4E (0.46) KMT2AMEN1MAPK1SMN1; SMN2USP2
SCHEMBL8175290 0.83 KMT2A (0.48) KMT2AMEN1MAPK1SMN1; SMN2USP2
SCHEMBL8176766 0.82 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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 3408/4885MAPK1 3389/4885

“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.