SCHEMBL6328330

SCHEMBL6328330

CCC(C(=O)O)c1nc(-c2ccc(OC)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.56
PPARA Q07869 4/20 0.56
LMNA P02545 2/20 0.55
ATM Q13315 1/20 0.55
TPH1 P17752 2/20 0.55
S1PR1 P21453 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
PTPN1 P18031 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 0.48
AKR1C1 Q04828 1/20 0.48
PTGS1 P23219 1/20 0.48
ACACB O00763 6/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 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
SCHEMBL6538884 0.76 AKR1C3 (0.47) PPARDAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL6112789 0.75 FFAR1 (0.51) PPARDPPARAACACBMAPT
SCHEMBL19961266 0.75 PPARD (0.57) PPARDPPARALMNAATMTPH1
SCHEMBL6112818 0.75 FFAR1 (0.51) PPARDPPARAACACBMAPT
SCHEMBL7292683 0.75 RAB9A (0.59) PPARDPPARALMNAATMS1PR1
SCHEMBL16751976 0.75 TSHR (0.51) PPARDPPARALMNAS1PR1PTPN1
SCHEMBL7301479 0.74 RAB9A (0.57) PPARDPPARALMNAATMS1PR1
SCHEMBL6325229 0.73 LMNA (0.76) LMNAATMNPC1RAB9AMAPT
SCHEMBL3335119 0.72 HTT (0.72) LMNAATMTPH1S1PR1NR1H4
SCHEMBL6328328 0.72 LMNA (0.55) PPARDPPARALMNAATMTPH1

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 PPARD 1393/4885PPARA 1279/4885LMNA 448/4885

“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.