SCHEMBL6326140

SCHEMBL6326140

CN(C)CCOc1ccc(C(=N)NO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
ESR1 P03372 8/20 0.50
ESR2 Q92731 4/20 0.50
MAPT P10636 3/20 0.50
CYP2D6 P10635 2/20 0.50
LTA4H P09960 2/20 0.50
HTR6 P50406 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
KMT2A Q03164 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
NPC1 O15118 1/20 0.50
NR1I2 O75469 1/20 0.50
PRKD3 O94806 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
GBA1 P04062 1/20 0.50

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
SCHEMBL548439 0.83 PRSS1 (0.60) HRH3CYP2D6CHRM2CHRM4CHRM5
SCHEMBL549185 0.83 TMPRSS2 (0.60) HRH3CYP2D6CHRM2CHRM4CHRM5
SCHEMBL6326166 0.82 CHRNB2 (0.57) ESR1LMNAKDM4EALDH1A1
SCHEMBL3275310 0.81 PLK1 (0.56) MAPTCYP2D6LTA4HHDAC6MEN1
SCHEMBL6407420 0.81 MMP1 (0.56) CYP2D6HDAC6TP53CYP1A2RAB9A
Pentamidine Dao SCHEMBL548448 0.81 PRMT1 (0.61) HRH3CYP2D6CHRM2CHRM4CHRM5
SCHEMBL12461262 0.80 PRSS1 (0.70) HRH3CYP2D6KEAP1NFE2L2CHRM2
SCHEMBL409427 0.80 NR1I2 (0.53) HRH3MAPTCYP2D6CYP3A4NR1I2
SCHEMBL23588050 0.79 TMPRSS2 (0.51) HRH3MAPTCYP2D6CHRM2CHRM4
SCHEMBL8718224 0.79 TP53 (0.57) MAPTLTA4HTP53NPC1RAB9A

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 6 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
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN 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 HRH3 2457/4885ESR1 2200/4885ESR2 3101/4885

“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.