SCHEMBL6326362

SCHEMBL6326362

Cn1cccc1-c1noc(CCC(=O)O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 1/20 0.56
MCL1 Q07820 1/20 0.54
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.53
ATM Q13315 1/20 0.53
TP53 P04637 2/20 0.51
MITF O75030 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
GAA P10253 1/20 0.44
FFAR1 O14842 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KLF5 Q13887 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6324441 0.86 HPGD (0.45) HPGDALDH1A1CYP3A4MCL1LMNA
SCHEMBL6333227 0.85 ALDH1A1 (0.54) HPGDALDH1A1CYP3A4MCL1TSHR
SCHEMBL6333397 0.82 ALDH1A1 (0.49) HPGDALDH1A1CYP3A4MCL1TSHR
SCHEMBL6325563 0.81 MITF (0.51) HPGDALDH1A1CYP3A4MCL1TSHR
SCHEMBL27590000 0.80 ALDH1A1 (0.52) HPGDALDH1A1CYP3A4MCL1TSHR
SCHEMBL27589997 0.80 MCL1 (0.50) HPGDALDH1A1CYP3A4MCL1TSHR
SCHEMBL6324732 0.79 TSHR (0.53) HPGDALDH1A1CYP3A4MCL1TSHR
SCHEMBL5330405 0.76 ALDH1A1 (0.83) HPGDALDH1A1CYP3A4MCL1TSHR
SCHEMBL6326515 0.74 TSHR (0.48) HPGDALDH1A1CYP3A4MCL1TSHR
SCHEMBL6324077 0.73 MCL1 (0.60) HPGDALDH1A1CYP3A4MCL1TSHR

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 HPGD 539/4885ALDH1A1 338/4885CYP3A4 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.