SCHEMBL7799778

SCHEMBL7799778

COc1cc(OC)c(C(=O)Nc2cccc3c2CCNC3)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX7 Q99572 1/20 0.41
NPC1 O15118 2/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL7792106 0.93 LMNA (0.42) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8185203 0.88 KMT2A (0.48) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8185689 0.82 NR1H4 (0.46) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8174320 0.81 NPC1 (0.43) MEN1KMT2AKDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL7797660 0.81 NR1H4 (0.45) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8184618 0.80 KMT2A (0.46) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL11732239 0.80 MEN1 (0.72) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8175249 0.79 MEN1 (0.45) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL27564084 0.79 MEN1 (0.41) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7792077 0.79 MEN1 (0.44) MEN1KMT2AKDM4EMAPTLMNA

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 7 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
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
CN-1222145-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 1999-07-07 CN disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 WO disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 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 445/4885KDM4E 910/4885

“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.