SCHEMBL6980498

SCHEMBL6980498

O=C(O)C(=CNc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CASP7 P55210 1/20 0.51
MAPT P10636 7/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
GAA P10253 4/20 0.49
POLB P06746 2/20 0.49
PHGDH O43175 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNMA1 Q12791 1/20 0.47
PKM P14618 1/20 0.46
CXCR1 P25024 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
SCHEMBL6980493 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL4739345 0.80 MAPT (0.47) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL6537862 0.79 APP (0.54) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL6537432 0.79 MAPT (0.50) ALDH1A1L3MBTL1MAPK1MAPTPHGDH
SCHEMBL8524918 0.79 MAPT (0.50) ALDH1A1L3MBTL1MAPK1MAPTPHGDH
SCHEMBL6537866 0.79 APP (0.54) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL8472886 0.79 ALDH1A1 (0.58) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL6538195 0.79 MAPT (0.70) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL6536822 0.79 KCNMA1 (0.49) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL6538193 0.79 MAPT (0.70) MEN1KMT2AALDH1A1MAPTCYP3A4

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-1027351-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 2003-12-03 EP disclosed
US-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US disclosed
US-6200974-B1 FOR PRODUCING AN ANTI-FIBROPROLIFERATIVE EFFECT ZENECA LIMITED (GB) 2001-03-13 US disclosed
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP disclosed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 US disclosed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 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-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 MEN1 2187/4885KMT2A 1250/4885ALDH1A1 425/4885

“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.