SCHEMBL4840388

SCHEMBL4840388

COc1ccc2c(COc3ccccc3)n[nH]c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
PARP1 P09874 5/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
AR P10275 2/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
ENPP1 P22413 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 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
SCHEMBL4131883 0.85 GAA (0.50) GAAMAPTPARP1CYP3A4CYP2C9
SCHEMBL4837264 0.85 PARP1 (0.52) GAAMAPTPARP1CYP3A4CYP2C9
SCHEMBL4833670 0.83 PARP1 (0.66) GAAMAPTPARP1CYP3A4CYP2C9
SCHEMBL4841413 0.82 PARP1 (0.51) GAAMAPTPARP1CYP3A4CYP2C9
SCHEMBL4117496 0.81 GAA (0.51) GAAMAPTCYP3A4CYP2C9TSHR
SCHEMBL4843618 0.77 GSK3A (0.65) GSK3AGSK3BENPP1SMN1; SMN2
SCHEMBL4837939 0.76 MAPT (0.47) GAAMAPTCYP3A4CYP2C9TSHR
SCHEMBL5216322 0.76 PARP1 (0.50) GAAMAPTPARP1CYP3A4CYP2C9
SCHEMBL4843082 0.75 ENPP1 (0.47) GAAMAPTCYP3A4CYP2C9TSHR
SCHEMBL6589678 0.75 PRMT5 (0.52) GAAMAPTCYP3A4CYP2C9TSHR

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-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 GAA 491/4885MAPT 459/4885PARP1 1732/4885

“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.