SCHEMBL7124149

SCHEMBL7124149

O=C1NCCc2cc(OCc3ccccc3-c3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 12/20 0.56
PARP10 Q53GL7 11/20 0.56
CD274 Q9NZQ7 2/20 0.53
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
PDPK1 O15530 1/20 0.48
PARP1 P09874 1/20 0.48
GRM5 P41594 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44

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
SCHEMBL4415080 0.84 MAOB (0.64) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL22105152 0.78 GABRG2 (0.53) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL5848736 0.77 MAOA (0.68) PARP11MAOAMAOB
SCHEMBL7121540 0.75 CD274 (0.46) CD274MAOAMAOB
SCHEMBL4418614 0.74 MAOB (0.65) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL4425403 0.74 MAOB (0.67) PARP11PARP10GABRG2GABRB3GABRA5
SCHEMBL31444064 0.74 MAOA (0.64) PARP11PARP10PDPK1PARP1MAOA
SCHEMBL7121552 0.73 CD274 (0.47) CD274MAOAMAOB
SCHEMBL8155722 0.73 PARP11 (1.00) PARP11PARP10PDPK1PARP1GRM5
SCHEMBL21040262 0.73 PARP11 (0.55) PARP11PARP10GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664250-B2 Cardiovascular disorders BRISTOL-MYERS SQUIBB CO. 2003-12-16 US disclosed
US-20030114438-A1 Lactam derivatives as antiarrhythmic agents S ATWAL KARNAIL (US) 2003-06-19 US disclosed
US-6262068-B1 ISOQUINOLONES BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 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-20030114438-A1 Lactam derivatives as antiarrhythmic agents NPR3, SCN3A, NRDC PARP11 4235/4885PARP10 3637/4885CD274 3287/4885

“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.