SCHEMBL3326488

SCHEMBL3326488

C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.62
TSHR P16473 1/20 0.62
DHODH Q02127 11/20 0.60
LMNA P02545 2/20 0.60
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.47

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
SCHEMBL4760125 0.83 DHODH (0.55) PDE10ATSHRDHODHLMNACYP2D6
SCHEMBL3322299 0.81 TACR3 (0.53) TSHRCYP2D6CYP2C19KMT2A
SCHEMBL1581125 0.81 TACR3 (0.53) TSHRCYP2D6CYP2C19KMT2A
SCHEMBL4760121 0.81 PDE10A (0.59) PDE10ATSHRDHODHLMNACYP2D6
SCHEMBL4449047 0.80 LMNA (0.69) PDE10ALMNAKMT2A
SCHEMBL1581130 0.78 TACR3 (0.73) TSHRCYP2D6CYP2C19KMT2A
SCHEMBL2010542 0.78 TACR3 (0.73) TSHRCYP2D6CYP2C19KMT2A
SCHEMBL5046700 0.78 LMNA (0.61) PDE10ATSHRLMNA
SCHEMBL5029765 0.78 PDE10A (0.56) PDE10ATSHRDHODHLMNACYP2D6
SCHEMBL3329491 0.77 TACR3 (0.58) TSHRCYP2D6KMT2A

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
US-20100120850-A1 Quinoline Derivatives, Pharmaceutical Compositions Comprising Them, and Their Use in Treating Central Nervous System and Peripheral Diseases ASTRAZENECA AB (SE) 2010-05-13 US claimed
CN-101679271-A Quinoline derivatives, pharmaceutical compositions containing them and their use in the treatment of central nervous system and peripheral diseases ASTRAZENECA AB 2010-03-24 CN claimed
EP-2137155-A1 QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES AstraZeneca AB (SE) 2009-12-30 EP claimed
WO-2008115140-A1 QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES ASTRAZENECA AB (SE) 2008-09-25 WO claimed
US-20100120850-A1 Quinoline Derivatives, Pharmaceutical Compositions Comprising Them, and Their Use in Treating Central Nervous System and Peripheral Diseases ASTRAZENECA AB (SE) 2010-05-13 US disclosed
EP-2137155-A1 QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES AstraZeneca AB (SE) 2009-12-30 EP disclosed
WO-2008115140-A1 QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES ASTRAZENECA AB (SE) 2008-09-25 WO 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 (1 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-20100120850-A1 Quinoline Derivatives, Pharmaceutical Compositions Comprising Them, and Their Use in Treating Central Nervous System and Peripheral Diseases PMP22, RECQL, ACHE PDE10A 358/4885TSHR 2105/4885DHODH 2139/4885

“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.