SCHEMBL4769332

SCHEMBL4769332

CCNS(=O)(=O)Cc1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
IDO1 P14902 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL6288936 0.85 ALDH1A1 (0.46) POLBCTDSP1SIGMAR1TAAR1
SCHEMBL1678842 0.82 TAAR1 (0.45) SMN1; SMN2CA12CA9TAAR1
SCHEMBL18571399 0.82 ALDH1A1 (0.57) CA12CA9KMT2A
SCHEMBL24425797 0.80 KDM4E (0.53) KMT2A
SCHEMBL10494691 0.80 CA12 (0.46) CA12CA9
SCHEMBL24429452 0.80 KMT2A (0.51) CA9KMT2A
SCHEMBL11566937 0.79 CA1 (0.41) CA12CA9TAAR1
SCHEMBL634963 0.79 CA1 (0.61) CA9KMT2A
SCHEMBL24425786 0.78 TAAR1 (0.42) SMN1; SMN2CA12CA9TAAR1IDO1
SCHEMBL30896617 0.78 TAAR1 (0.46) GLASMN1; SMN2TAAR1IDO1CYP19A1

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP 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 GLA 4101/4885SMN1; SMN2 27/4885POLB 3161/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GLA 4335/4885SMN1; SMN2 37/4885POLB 3192/4885

“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.