SCHEMBL7791958

SCHEMBL7791958

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
NR1I2 O75469 1/20 0.40
UGCG Q16739 1/20 0.40
LMNA P02545 2/20 0.39
MAP4K1 Q92918 1/20 0.39
BRD9 Q9H8M2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NR4A1 P22736 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 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
SCHEMBL7802393 0.93 KMT2A (0.44) MEN1KMT2AMAPTNR1I2UGCG
Hydrochloric Acid SCHEMBL7797935 0.92 KMT2A (0.43) MEN1KMT2AMAPTNR1I2UGCG
SCHEMBL7797946 0.91 KMT2A (0.43) MEN1KMT2AL3MBTL1MAPTNR1I2
SCHEMBL8185747 0.90 KMT2A (0.46) MEN1KMT2AL3MBTL1TP53MAPT
SCHEMBL7799966 0.89 KMT2A (0.45) MEN1KMT2ATP53MAPTNR1I2
SCHEMBL7798022 0.89 HSD17B10 (0.43) MEN1KMT2ATP53MAPTNR1I2
SCHEMBL7797970 0.88 KMT2A (0.42) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL7799939 0.86 MEN1 (0.43) MEN1KMT2AL3MBTL1TP53MAPT
SCHEMBL7797937 0.86 KMT2A (0.44) MEN1KMT2AMAPTNR1I2UGCG
Hydrochloric Acid SCHEMBL7791936 0.84 HSD17B10 (0.44) MEN1KMT2AMAPTNR1I2UGCG

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 445/4885L3MBTL1 3340/4885

“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.