SCHEMBL6324199

SCHEMBL6324199

O=C(CCCc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
AURKB Q96GD4 5/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 3/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6333093 0.94 MAPT (0.48) LMNAMAPTTP53AURKBHDAC1
SCHEMBL6328058 0.94 MAPT (0.50) LMNAMAPTTP53AURKBHDAC1
SCHEMBL6328554 0.93 HDAC1 (0.53) LMNAMAPTTP53AURKBHDAC1
SCHEMBL6327212 0.91 HDAC1 (0.53) LMNAMAPTTP53AURKBHDAC1
SCHEMBL6332825 0.91 LMNA (0.47) LMNAMAPTTP53AURKBHPGD
SCHEMBL6328629 0.89 HDAC1 (0.49) LMNAMAPTTP53AURKBHDAC1
SCHEMBL6332801 0.89 HPGD (0.53) LMNAMAPTTP53HDAC1HDAC2
SCHEMBL6324761 0.88 AURKB (0.50) LMNAMAPTTP53AURKBHPGD
SCHEMBL6324511 0.88 SMN1; SMN2 (0.45) LMNATP53AURKBHDAC1HDAC2
SCHEMBL6325569 0.87 HDAC1 (0.49) LMNAMAPTTP53AURKBHDAC1

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 LMNA 448/4885MAPT 729/4885TP53 81/4885

“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.