SCHEMBL4768229

SCHEMBL4768229

CCCCS(=O)(=O)Nc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
LMNA P02545 2/20 0.59
AR P10275 1/20 0.55
THRA P10827 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
AURKA O14965 1/20 0.48
KDR P35968 1/20 0.48
AURKB Q96GD4 1/20 0.48
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE1C Q14123 1/20 0.47
PDE3A Q14432 1/20 0.47
BRD4 O60885 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4766928 0.89 CA1 (0.52) HPGDLMNAARCA1CA2
SCHEMBL10192137 0.84 HPGD (0.60) HPGDLMNAARTHRACA1
SCHEMBL9156206 0.84 HPGD (0.60) HPGDLMNAARTHRAAURKA
SCHEMBL4598881 0.83 HPGD (0.64) HPGDLMNAARCA1CA2
SCHEMBL5050119 0.82 CA1 (0.48) HPGDLMNAARTHRACA1
SCHEMBL7985726 0.82 HPGD (0.59) HPGDLMNAARTHRAAURKA
SCHEMBL9762891 0.82 HPGD (0.59) HPGDLMNAARTHRACA1
SCHEMBL5293554 0.82 HPGD (0.59) HPGDLMNAARTHRACA1
SCHEMBL4650966 0.81 AR (0.66) HPGDLMNAARTHRACA1
SCHEMBL2748552 0.80 HPGD (0.56) HPGDLMNAARTHRAAURKA

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 HPGD 1216/4885LMNA 1057/4885AR 3279/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HPGD 1548/4885LMNA 1917/4885AR 2123/4885

“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.