SCHEMBL5083219

SCHEMBL5083219

COc1cc2c(cc1OC)C(Cl)(c1ccccc1)OC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
SIRT1 Q96EB6 3/20 0.39
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
CYP3A4 P08684 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL4725746 0.81 TP53 (0.48) AVPR1ANPSR1SIRT1CFTRGOPC
SCHEMBL4726170 0.74 CFTR (0.61) NPSR1CFTRGOPCCYP3A4CYP1A2
SCHEMBL4728617 0.73 CFTR (0.38) CFTRGOPCACHEMAPTSMN1; SMN2
SCHEMBL4729629 0.73 OPRM1 (0.53) NPSR1CFTRGOPCCYP3A4CYP1A2
SCHEMBL11010153 0.69 ALDH1A1 (0.45) CYP3A4L3MBTL1ACHEMAPTSMN1; SMN2
SCHEMBL11831890 0.68 SIGMAR1 (0.66) AVPR1AACHE
SCHEMBL11832778 0.65 AVPR1A (0.50) AVPR1ACYP3A4ACHEKDM4ECA1
SCHEMBL11731999 0.64 CA1 (0.42) AVPR1ANPSR1CYP3A4ACHEKDM4E
SCHEMBL1820782 0.64 CYP2D6 (0.48) NPSR1CFTRGOPCCYP3A4HTT
SCHEMBL8986118 0.63 KDM4E (0.41) NPSR1SIRT1CYP3A4ACHEMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-4505921-A Sulfonylurea compounds and their use in treating diabetes ADIR, S.A.R.L. (FR) 1985-03-19 US 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN AVPR1A 4609/4885NPSR1 1396/4885SIRT1 399/4885

“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.