SCHEMBL4469625

SCHEMBL4469625

COC(=O)c1c(C=CC(=O)OCc2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAOB P27338 7/20 0.48
CA12 O43570 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45
TTR P02766 1/20 0.43
TXNRD1 Q16881 1/20 0.43
POLB P06746 1/20 0.42
MAOA P21397 1/20 0.42
BACE1 P56817 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL4469618 1.00 LMNA (0.49) LMNAMAOBCA12CA4CA6
SCHEMBL4469622 1.00 LMNA (0.49) LMNAMAOBCA12CA4CA6
SCHEMBL4471259 0.89 LMNA (0.53) LMNAMAOBCA12CA4CA6
SCHEMBL4471256 0.89 LMNA (0.53) LMNAMAOBCA12CA4CA6
SCHEMBL5575787 0.77 MAOB (0.55) LMNAMAOBALDH1A1MAOANFKB1
SCHEMBL4480867 0.75 LMNA (0.61) LMNAMAOBCA12CA4CA6
SCHEMBL28506962 0.75 LMNA (0.61) LMNAMAOBCA12CA4CA6
SCHEMBL4480869 0.75 LMNA (0.61) LMNAMAOBCA12CA4CA6
SCHEMBL4459220 0.74 MAOB (0.48) LMNAMAOBCA12CA7CA9
SCHEMBL4459214 0.74 MAOB (0.48) LMNAMAOBCA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1778225-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-05-02 EP disclosed
WO-2006019886-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 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-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B LMNA 3051/4885MAOB 40/4885CA12 4647/4885

“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.