SCHEMBL7793516

SCHEMBL7793516

CCCCCCN(C)C(=O)c1cnc2c3c(ccc2c1)C(=O)C([N+](=O)[O-])C=N3

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.34
ACHE P22303 7/20 0.34
PDK2 Q15119 1/20 0.33
THRA P10827 2/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC6 Q9UBN7 4/20 0.30
HCAR3 P49019 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL7799172 0.86 PDK2 (0.33) PDK2THRAHDAC6TRPV1
SCHEMBL7799131 0.82 PDK2 (0.36) BCHEACHEPDK2THRBNPC1
SCHEMBL7802370 0.79 ADORA2A (0.37) RAB9AALDH1A1SMN1; SMN2
SCHEMBL8531070 0.76 MEN1 (0.31) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL7801055 0.73 HPGD (0.39) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL7801041 0.71 TSHR (0.37) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL8437417 0.71 HCAR3 (0.33) KDM4EALDH1A1LMNAHPGDHCAR3
SCHEMBL7799119 0.70 MEN1 (0.43) ALDH1A1HPGDHDAC6
SCHEMBL7799355 0.70 HPGD (0.34) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7802386 0.69 KMT2A (0.40) RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US disclosed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 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-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 BCHE 3083/4885ACHE 3807/4885PDK2 4076/4885

“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.