SCHEMBL19217686

SCHEMBL19217686

O=[N+](O)c1cccnc1N1CCCNCC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 3/20 0.50
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
PRKCI P41743 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL4688913 0.86 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL2898307 0.80 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL14818765 0.76 EPHX2 (0.54) CYP1A2EPHX2CHRNB2CHRNA4PRKCI
SCHEMBL2488542 0.73 OPRK1 (0.55) CYP1A2CYP2C9CYP2C19PRKCAPRKCQ
SCHEMBL2004470 0.72 DRD2 (0.53) MAPTEPHX2CHRNB2CHRNA4
SCHEMBL19853561 0.72 EPHX2 (0.50) MAPTEPHX2CHRNB2CHRNA4HTR2C
SCHEMBL12986602 0.72 HTR3A (0.51) CYP2C19MAPTEPHX2LMNACHRNB2
SCHEMBL14803888 0.72 EPHX2 (0.65) EPHX2CHRNB2CHRNA4HTR2CROCK2
SCHEMBL5356587 0.72 EPHX2 (0.89) MAPTEPHX2
SCHEMBL8919927 0.72 HTR2C (0.62) MAPTEPHX2HTR2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226124-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-10 US 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-20170226124-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 CYP1A2 548/4885CYP2C9 1361/4885CYP2C19 970/4885

“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.