SCHEMBL6695879

SCHEMBL6695879

NCCC(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
NPC1 O15118 2/20 0.54
GRM8 O00222 1/20 0.49
GRM6 O15303 1/20 0.49
GRM4 Q14833 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 2/20 0.47
MMP2 P08253 1/20 0.47
HTR1A P08908 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 2/20 0.45
IGF1R P08069 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL18913904 0.89 ALDH1A1 (0.72) ALDH1A1NPC1GRM8GRM6GRM4
SCHEMBL1983480 0.89 ALDH1A1 (0.72) ALDH1A1NPC1GRM8GRM6GRM4
SCHEMBL240466 0.89 ALDH1A1 (0.72) ALDH1A1NPC1GRM8GRM6GRM4
SCHEMBL2368297 0.89 ALDH1A1 (0.72) ALDH1A1NPC1GRM8GRM6GRM4
SCHEMBL5106051 0.88 ALDH1A1 (0.54) ALDH1A1NPC1GRM8GRM6GRM4
SCHEMBL334438 0.85 ALDH1A1 (0.68) ALDH1A1NPC1LOXL2MEN1KMT2A
SCHEMBL4942727 0.85 ALDH1A1 (0.68) ALDH1A1NPC1LOXL2MEN1KMT2A
SCHEMBL7150447 0.85 ALDH1A1 (0.68) ALDH1A1NPC1LOXL2MEN1KMT2A
SCHEMBL1415694 0.84 ALDH1A1 (0.66) ALDH1A1NPC1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL26098210 0.84 ALDH1A1 (0.66) ALDH1A1NPC1LOXL2MEN1KMT2A

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 ALDH1A1 2164/4885NPC1 685/4885GRM8 4461/4885

“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.