SCHEMBL4841758

SCHEMBL4841758

COc1cc(OC)c2c(Cc3ccccc3)n[nH]c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.56
BRD4 O60885 2/20 0.56
CYP2C9 P11712 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
AR P10275 2/20 0.53
ALDH1A1 P00352 2/20 0.47
ENPP1 P22413 2/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1029208 0.84 PARP1 (0.66) PARP1BRD4CYP2C9CYP3A4TSHR
SCHEMBL4834527 0.82 BRD4 (0.44) PARP1BRD4CYP2C9CYP3A4TSHR
SCHEMBL25548688 0.82 CYP2C9 (0.70) PARP1BRD4CYP2C9CYP3A4TSHR
SCHEMBL29655036 0.81 PARP1 (0.54) PARP1BRD4CYP2C9CYP3A4TSHR
SCHEMBL19748136 0.81 PARP1 (0.54) PARP1BRD4CYP2C9CYP3A4TSHR
SCHEMBL4833670 0.81 PARP1 (0.66) PARP1BRD4CYP2C9CYP3A4TSHR
SCHEMBL19748844 0.75 PARP1 (0.44) PARP1BRD4CYP2C9CYP3A4TSHR
SCHEMBL4840113 0.75 ALDH1A1 (0.44) PARP1BRD4ALDH1A1PDE4APDE4B
SCHEMBL12955387 0.74 CYP3A4 (0.56) PARP1BRD4CYP2C9CYP3A4TSHR
SCHEMBL581787 0.74 AR (0.70) PARP1CYP2C9CYP3A4TSHRCYP2C19

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 5 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
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 PARP1 1732/4885BRD4 2829/4885CYP2C9 1093/4885

“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.