SCHEMBL6696099

SCHEMBL6696099

NC(=O)c1cc(CO)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
CYP3A4 P08684 2/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
CTSD P07339 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MITF O75030 1/20 0.42
PARP1 P09874 1/20 0.41
DTYMK P23919 1/20 0.41
RAB9A P51151 1/20 0.41
TTR P02766 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL30475717 1.00 MAPT (0.45) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6390864 0.85 DTYMK (0.58) MAPTCYP3A4ALDH1A1LMNACTSD
SCHEMBL13497999 0.83 MAPT (0.49) MAPTCYP3A4ALDH1A1CTSDCYP1A2
SCHEMBL6693120 0.80 SIRT6 (0.53) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL27601680 0.78 CYP19A1 (0.61) MAPTALDH1A1LMNACTSDSMN1; SMN2
SCHEMBL515466 0.78 MAPT (0.54) MAPTCYP3A4ALDH1A1SMN1; SMN2POLB
SCHEMBL8980494 0.78 MAPK1 (0.48) MAPTCYP3A4ALDH1A1LMNACTSD
SCHEMBL8994310 0.77 TDP1 (0.58) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL45190 0.77 ALDH1A1 (0.62) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6553684 0.77 PARP1 (0.62) MAPTCYP3A4BLMPMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472243-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2004-11-03 EP disclosed
US-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation HU, LONGQIN 2004-10-28 US disclosed
WO-2003066621-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2003-08-14 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-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation MKI67, NME2, NTPCR MAPT 4367/4885CYP3A4 3449/4885BLM 4523/4885

“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.