SCHEMBL7797905

SCHEMBL7797905

CCOc1cc(OCC)c(C#N)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
XDH P47989 1/20 0.39
TTK P33981 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL4001974 0.84 CYP11B1 (0.42) ARLMNATSHRHSD17B10MAPT
SCHEMBL4000450 0.82 LMNA (0.35) ARLMNATSHRHSD17B10MAPT
SCHEMBL27427354 0.81 CYP11B1 (0.42) ARLMNATSHRHSD17B10XDH
SCHEMBL29363898 0.80 EGFR (0.44) ARLMNATSHRXDHHPGD
SCHEMBL746850 0.80 EGFR (0.44) ARLMNATSHRXDHHPGD
SCHEMBL23948615 0.79 MEN1 (0.41) ARLMNAHSD17B10XDHTTK
SCHEMBL10967724 0.77 LMNA (0.57) LMNATSHRHSD17B10MAPTTDP1
SCHEMBL392560 0.76 MAOB (0.47) ARLMNATSHRXDHHPGD
SCHEMBL8895733 0.76 CYP11B1 (0.46) ARLMNAHSD17B10XDHTTK
SCHEMBL23915464 0.76 ALDH1A1 (0.44) ARLMNAHSD17B10XDHTTK

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 AR 4605/4885LMNA 3590/4885TSHR 4289/4885

“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.