SCHEMBL6324649

SCHEMBL6324649

CCC(Cn1nnc(-c2ccc(C)cc2)n1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ADRB2 P07550 1/20 0.46
LTA4H P09960 3/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2C9 P11712 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP3 P42574 1/20 0.46

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 0.74 CYP2C9 (0.72) SMN1; SMN2ALDH1A1RAB9AHTTTDP1
SCHEMBL3544012 0.74 LMNA (0.71) SMN1; SMN2ALDH1A1RAB9AHTTTDP1
SCHEMBL18383451 0.72 LTA4H (0.80) LTA4HCYP2C9CYP2D6KCNH2
SCHEMBL18383439 0.72 LTA4H (0.80) LTA4HCYP2C9CYP2D6KCNH2
SCHEMBL20357675 0.72 LTA4H (0.80) LTA4HCYP2C9CYP2D6KCNH2
SCHEMBL6324652 0.70 HPGD (0.63) SMN1; SMN2ALDH1A1RAB9AHTTMEN1
SCHEMBL7873175 0.70 LTA4H (0.64) SMN1; SMN2ALDH1A1RAB9AHTTTDP1
SCHEMBL18383427 0.70 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1RAB9AHTTTDP1
SCHEMBL25408425 0.69 LTA4H (0.65) SMN1; SMN2ALDH1A1RAB9AHTTTDP1
SCHEMBL7709183 0.69 LMNA (0.63) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 SMN1; SMN2 3494/4885ALDH1A1 338/4885RAB9A 4452/4885

“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.