SCHEMBL6694531

SCHEMBL6694531

O=[N+]([O-])c1ccc2c(c1)NP(=O)(N(CCCl)CCCl)OC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRYZ Q08257 2/20 0.60
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
PNMT P11086 6/20 0.34
ADRA2A P08913 5/20 0.34
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
TDP2 O95551 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6694534 0.86 CRYZ (0.53) CRYZCA12CA1CA2CA9
SCHEMBL6693338 0.79 CRYZ (0.64) CRYZPNMTADRA2AADRA2BADRA2C
SCHEMBL6690591 0.76 CRYZ (0.67) CRYZCA12CA1CA2CA9
SCHEMBL6691547 0.75 CRYZ (1.00) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL6693341 0.75 CRYZ (0.56) CRYZPNMTADRA2AADRA2BADRA2C
SCHEMBL6690595 0.73 CRYZ (0.62) CRYZCA12CA1CA2CA9
SCHEMBL6693404 0.68 CRYZ (1.00) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL6691548 0.68 CRYZ (0.74) CRYZCA12CA1CA2CA9
SCHEMBL6692264 0.65 CRYZ (0.60) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL3602500 0.63 TDP2 (0.47) CA12CA1CA2CA9ALOX15

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-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation HU, LONGQIN 2004-10-28 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-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation MKI67, NME2, NTPCR CRYZ 1190/4885NPSR1 1115/4885CA12 3556/4885

“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.