SCHEMBL4766928

SCHEMBL4766928

CCCS(=O)(=O)Nc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
HPGD P15428 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PGR P06401 1/20 0.48
TGM2 P21980 1/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
PTPN5 P54829 1/20 0.47
KDR P35968 2/20 0.46
AURKB Q96GD4 2/20 0.46
PLK4 O00444 1/20 0.46
DCLK1 O15075 1/20 0.46
DAPK3 O43293 1/20 0.46
DYRK3 O43781 1/20 0.46
JAK2 O60674 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
SCHEMBL4768229 0.89 HPGD (0.59) CA1CA2HPGDLMNAHTT
SCHEMBL4598881 0.86 HPGD (0.64) CA1CA2HPGDLMNAHTT
SCHEMBL10191923 0.82 CA1 (0.53) CA1CA2HPGDLMNAHTT
SCHEMBL21024552 0.81 KMT2A (0.54) CA1CA2HPGDLMNAHTT
SCHEMBL7758939 0.81 HPGD (0.48) HPGDLMNAHTTSMN1; SMN2PGR
SCHEMBL7761720 0.81 HPGD (0.58) CA1CA2HPGDLMNAHTT
SCHEMBL255294 0.80 KEAP1 (0.54) CA1CA2HPGDLMNAHTT
Hydrochloric Acid SCHEMBL31111910 0.78 KEAP1 (0.52) CA1CA2HPGDLMNAHTT
SCHEMBL7761718 0.78 HPGD (0.55) CA1CA2HPGDLMNAHTT
SCHEMBL9835856 0.78 PGR (0.49) HPGDLMNAHTTSMN1; SMN2PGR

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 CA1 517/4885CA2 120/4885HPGD 1216/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CA1 665/4885CA2 117/4885HPGD 1548/4885

“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.