SCHEMBL6326166

SCHEMBL6326166

CN(C)CCOc1cccc(C(=N)NO)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.57
CHRNA4 P43681 2/20 0.57
ESR1 P03372 3/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PRSS1 P07477 8/20 0.48
SMPD1 P17405 3/20 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
SCHEMBL6326140 0.82 HRH3 (0.51) ESR1KDM4EALDH1A1LMNA
SCHEMBL12586824 0.80 SMPD1 (0.71) THRATHRBPRSS1SMPD1
SCHEMBL8126769 0.78 ESR1 (0.60) CHRNB2CHRNA4ESR1KDM4EALDH1A1
SCHEMBL4846612 0.78 ESR1 (0.63) CHRNB2CHRNA4ESR1KDM4EALDH1A1
SCHEMBL6623073 0.78 KMT2A (0.69) CHRNB2CHRNA4ESR1KDM4EALDH1A1
SCHEMBL3652803 0.77 ESR1 (0.61) CHRNB2CHRNA4ESR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8702528 0.77 KMT2A (0.68) CHRNB2CHRNA4ESR1KDM4EALDH1A1
SCHEMBL4638666 0.75 ESR1 (0.67) CHRNB2CHRNA4ESR1KDM4EALDH1A1
SCHEMBL15131120 0.75 ESR1 (0.64) CHRNB2CHRNA4ESR1KDM4EALDH1A1
SCHEMBL4751187 0.75 SMPD1 (0.44) PRSS1SMPD1

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 CHRNB2 4679/4885CHRNA4 4666/4885ESR1 2200/4885

“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.