SCHEMBL4774034

SCHEMBL4774034

CCCC[Sn](CCCC)(CCCC)c1ccc(S(=O)(=O)NC(C)CC)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 2/20 0.43
ALDH1A1 P00352 6/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 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
SCHEMBL4774829 0.80 SMN1; SMN2 (0.47) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL4768844 0.79 ALDH1A1 (0.54) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL4763544 0.78 CA12 (0.57) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL4770531 0.76 PTGS2 (0.43) CA2SMN1; SMN2
SCHEMBL4765265 0.76 ATM (0.41) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL12169286 0.75 CA2 (0.75) CA2CA12CA9SMN1; SMN2TP53
SCHEMBL1656181 0.75 ADAMTS4 (0.41) MAPT
SCHEMBL4771514 0.74 KMT2A (0.50) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL14132583 0.73 CA2 (0.54) CA2CA12CA9SMN1; SMN2TP53
SCHEMBL13507008 0.73 MMP2 (0.55) CA2CA12CA9SMN1; SMN2TP53

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 CA2 120/4885CA12 3253/4885CA9 2387/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CA2 117/4885CA12 4058/4885CA9 2948/4885

“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.