SCHEMBL6325809

SCHEMBL6325809

O=C(O)CCc1nc(-c2ccc(F)c(F)c2)no1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
LMNA P02545 1/20 0.61
ATM Q13315 1/20 0.61
TP53 P04637 2/20 0.58
MITF O75030 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
FFAR1 O14842 4/20 0.57
ALDH1A1 P00352 2/20 0.56
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
MCL1 Q07820 1/20 0.52
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
RAB9A P51151 1/20 0.47
KLF5 Q13887 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL6332416 0.85 TSHR (0.74) TSHRLMNAATMTP53MITF
SCHEMBL6325487 0.82 TSHR (0.67) TSHRLMNAATMTP53MITF
SCHEMBL6328232 0.82 TSHR (0.74) TSHRLMNAATMTP53MITF
SCHEMBL5717662 0.82 TSHR (1.00) TSHRLMNAATMTP53MITF
SCHEMBL5582657 0.81 TSHR (0.65) TSHRLMNAATMTP53MITF
SCHEMBL6325165 0.80 TSHR (0.76) TSHRLMNAATMTP53MITF
SCHEMBL1544736 0.80 TSHR (0.71) TSHRLMNAATMTP53MITF
SCHEMBL5330405 0.80 ALDH1A1 (0.83) TSHRLMNAATMTP53MITF
SCHEMBL1684613 0.79 TSHR (0.74) TSHRLMNAATMTP53MITF
SCHEMBL6326164 0.78 ALDH1A1 (0.63) TSHRLMNAATMTP53MITF

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 TSHR 4656/4885LMNA 448/4885ATM 414/4885

“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.