SCHEMBL7797946

SCHEMBL7797946

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NR1I2 O75469 1/20 0.40
UGCG Q16739 1/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NR4A1 P22736 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
CARM1 Q86X55 1/20 0.37
MAP4K1 Q92918 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7802393 0.93 KMT2A (0.44) KMT2AMEN1NR1I2UGCGLMNA
Hydrochloric Acid SCHEMBL7797935 0.92 KMT2A (0.43) KMT2AMEN1NR1I2UGCGLMNA
SCHEMBL8184203 0.92 KMT2A (0.42) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL7791958 0.91 MEN1 (0.43) KMT2AMEN1NR1I2UGCGLMNA
SCHEMBL7799980 0.89 HSD17B10 (0.43) KMT2AMEN1NR1I2UGCGLMNA
SCHEMBL7801319 0.89 KMT2A (0.43) KMT2AMEN1NR1I2UGCGLMNA
SCHEMBL7801338 0.89 KMT2A (0.45) KMT2AMEN1NR1I2UGCGSMN1; SMN2
SCHEMBL7799951 0.89 MEN1 (0.49) KMT2AMEN1NR1I2UGCGLMNA
SCHEMBL7797970 0.88 KMT2A (0.42) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL8068248 0.86 MEN1 (0.43) KMT2AMEN1NR1I2UGCGMAPT

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 3408/4885NR1I2 714/4885

“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.