SCHEMBL6400932

SCHEMBL6400932

CN(C)CCn1cccc1C(N)=NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
NOS3 P29474 9/20 0.41
NOS1 P29475 9/20 0.41
HTR2C P28335 5/20 0.41
HTR2A P28223 4/20 0.41
NOS2 P35228 5/20 0.40
KDM1A O60341 1/20 0.34
HTR1D P28221 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
CACNA1F O60840 1/20 0.33
SLC22A3 O75751 1/20 0.33
HTR3B O95264 1/20 0.33
PRNP P04156 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL6400929 0.75 HTR2C (0.41) ALDH1A1HTR2CHTR2AKDM1AHTR1D
SCHEMBL27589994 0.73 GAA (0.46) ALDH1A1GAAKDM4ELMNA
SCHEMBL6326015 0.72 ALDH1A1 (0.42) ALDH1A1GAALMNAMAPT
SCHEMBL20945324 0.66 HTR2C (0.44) ALDH1A1GAAHTR2CHTR2AKDM1A
SCHEMBL6332741 0.64 HTR2C (0.45) ALDH1A1HTR2CHTR2AKDM1AHTR1D
SCHEMBL12264183 0.64 HTR2C (0.45) HTR2CHTR2AKDM1AHTR1DLMNA
SCHEMBL29102668 0.62 LMNA (0.50) ALDH1A1KDM4ELMNAMAPT
SCHEMBL17341811 0.62 HTR2A (0.51) HTR2CHTR2AKDM1AHTR1DLMNA
SCHEMBL12263459 0.62 HTR2C (0.44) ALDH1A1HTR2CHTR2AKDM1AHTR1D
SCHEMBL27611348 0.61 LMNA (0.53) ALDH1A1GAAKDM4ELMNAMAPT

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 ALDH1A1 338/4885GAA 2424/4885NOS3 3654/4885

“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.