SCHEMBL6324652

SCHEMBL6324652

CCOC(=O)CCn1nnc(-c2ccc(C)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 1/20 0.63
ALDH1A1 P00352 8/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
RAB9A P51151 1/20 0.62
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
TP53 P04637 2/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 4/20 0.57
GLA P06280 1/20 0.57
NPSR1 Q6W5P4 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADRB2 P07550 1/20 0.55
CYP2C9 P11712 2/20 0.53
LTA4H P09960 1/20 0.53
CYP2D6 P10635 1/20 0.53
KCNH2 Q12809 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL6323522 0.83 CYP2C9 (0.72) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL25786343 0.81 MAPT (0.57) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6926700 0.80 NPSR1 (0.53) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20364158 0.74 LTA4H (0.78) HPGDTSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL3544012 0.74 LMNA (0.71) HPGDTSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL7873175 0.73 LTA4H (0.64) HPGDTSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL22205174 0.73 LTA4H (0.53) HPGDTSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL9256828 0.72 TSHR (0.68) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9259216 0.72 TSHR (0.68) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9254256 0.71 TSHR (0.67) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2

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 539/4885TSHR 4656/4885HSD17B10 1292/4885

“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.