SCHEMBL6328228

SCHEMBL6328228

O=C(O)CCc1nc(-c2ccccc2Br)no1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
CYP3A4 P08684 1/20 0.65
MCL1 Q07820 1/20 0.56
TSHR P16473 2/20 0.56
AKR1B1 P15121 1/20 0.54
LMNA P02545 3/20 0.52
ATM Q13315 2/20 0.52
FFAR1 O14842 2/20 0.51
TP53 P04637 2/20 0.50
MITF O75030 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL6325690 0.84 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4MCL1TSHR
SCHEMBL6326180 0.83 HPGD (0.65) ALDH1A1HPGDCYP3A4MCL1TSHR
SCHEMBL6326021 0.83 ATM (0.72) ALDH1A1HPGDCYP3A4MCL1TSHR
SCHEMBL6332414 0.83 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MCL1TSHR
SCHEMBL7828530 0.82 ALDH1A1 (0.64) ALDH1A1HPGDCYP3A4MCL1TSHR
SCHEMBL5330405 0.81 ALDH1A1 (0.83) ALDH1A1HPGDCYP3A4MCL1TSHR
SCHEMBL6327192 0.80 ALDH1A1 (0.61) ALDH1A1HPGDCYP3A4MCL1TSHR
SCHEMBL6328368 0.80 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4MCL1TSHR
SCHEMBL6326409 0.80 ALDH1A1 (0.60) ALDH1A1HPGDCYP3A4MCL1TSHR
SCHEMBL2213047 0.79 ALDH1A1 (0.60) ALDH1A1HPGDCYP3A4MCL1TSHR

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
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ALDH1A1 338/4885HPGD 539/4885CYP3A4 841/4885

“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.