SCHEMBL7801353

SCHEMBL7801353

CCCOc1cc(CC)c(C#N)cc1C(=O)Nc1cccc2c1CCN(C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.38
BRD9 Q9H8M2 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ACACB O00763 1/20 0.38
NR3C1 P04150 1/20 0.37
MAPT P10636 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CARM1 Q86X55 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7797924 0.96 BRD9 (0.41) METBRD9PRMT5WDR77NR3C1
SCHEMBL7799980 0.93 HSD17B10 (0.43) PRMT5WDR77MAPTSMN1; SMN2HSD17B10
SCHEMBL7799989 0.90 ALDH1A1 (0.44) PRMT5WDR77MAPTSMN1; SMN2HSD17B10
SCHEMBL7792101 0.86 ALDH1A1 (0.43) BRD9MAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7791936 0.84 HSD17B10 (0.44) MAPTSMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL7798022 0.84 HSD17B10 (0.43) MAPTSMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL8183784 0.83 HTR4 (0.40) BRD9ACACBNR3C1SMN1; SMN2MEN1
SCHEMBL8184755 0.82 ACACB (0.42) METBRD9ACACBNR3C1MAPT
SCHEMBL7801379 0.82 HSD17B10 (0.42) ACACBMAPTSMN1; SMN2HSD17B10CARM1
SCHEMBL7801338 0.82 KMT2A (0.45) BRD9MAPTSMN1; SMN2MEN1KMT2A

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 MET 4540/4885BRD9 1358/4885PRMT5 1178/4885

“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.