SCHEMBL7797989

SCHEMBL7797989

COc1cc2c(cc1C(=O)Nc1cccc3c1CCN(C)C3)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
RAB9A P51151 3/20 0.49
MAP3K5 Q99683 1/20 0.47
DHODH Q02127 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
MAPT P10636 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
SLC6A4 P31645 1/20 0.43
NPC1 O15118 2/20 0.43

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 0.90 MAPT (0.50) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL7801364 0.88 KMT2A (0.56) MEN1KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL8185612 0.88 KMT2A (0.46) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL8184601 0.88 KMT2A (0.49) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL8184618 0.87 KMT2A (0.46) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL8175290 0.87 KMT2A (0.48) MEN1KMT2ASMN1; SMN2LMNAMAP3K5
SCHEMBL7797922 0.87 KDM4E (0.46) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL7797985 0.86 KMT2A (0.44) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL8176766 0.85 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL8176139 0.85 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1

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 MEN1 3408/4885KMT2A 445/4885SMN1; SMN2 1323/4885

“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.