SCHEMBL4773700

SCHEMBL4773700

Clc1nc(-c2ccc(Br)cc2)cc2sccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
MCL1 Q07820 2/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
LTA4H P09960 1/20 0.36
AGTR1 P30556 1/20 0.36
MAPK14 Q16539 1/20 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
SCHEMBL4769008 0.81 KDM4E (0.46) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6240033 0.76 CSNK2A2 (0.35) MAPTALDH1A1KDM4E
SCHEMBL4767456 0.72 AGTR1 (0.45) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL25346159 0.72 CSNK2A2 (0.37) MAPTALDH1A1KDM4ELMNA
SCHEMBL31155205 0.72 CSNK2A2 (0.37) MAPTALDH1A1KDM4ELMNA
SCHEMBL13789317 0.70 ADORA2A (0.46) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL8172184 0.69 KDM4E (0.39) MAPTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL20745977 0.69 CSNK2A2 (0.35) MAPTALDH1A1KDM4E
SCHEMBL4766321 0.69 HTT (0.45) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5198824 0.66 SMN1; SMN2 (0.36) MAPTSMN1; SMN2KMT2ANPSR1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPT 1892/4885RAB9A 2421/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885RAB9A 2304/4885SMN1; SMN2 37/4885

“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.