SCHEMBL6977126

SCHEMBL6977126

O=C(O)C1C=Nc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 5/20 0.39
ALDH1A1 P00352 2/20 0.39
PTPRC P08575 1/20 0.39
GPR35 Q9HC97 3/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL6974946 0.81 MAPT (0.40) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL1444909 0.70 MAPT (0.38) S100A4KMT2AMEN1CA1CA2
SCHEMBL7081619 0.69 CES2 (0.31)
SCHEMBL1509598 0.67 LMNA (0.43) TDP1ALDH1A1MAPTTSHRL3MBTL1
SCHEMBL6383602 0.62 MAPT (0.62) S100A4KMT2AMEN1CA1CA2
Bicarbonate SCHEMBL9620804 0.62 S100A4 (0.70) S100A4KMT2ACA1CA2CA7
Hydrogen Peroxide SCHEMBL28789392 0.61 GPR35 (0.64) KMT2AMEN1TDP1ALDH1A1GPR35
Acetic Acid SCHEMBL28846418 0.61 HSD17B10 (0.56) KMT2AMEN1TDP1ALDH1A1GPR35
SCHEMBL1554602 0.61 TDP1 (0.75) KMT2AMEN1CA1CA2TDP1
SCHEMBL11309776 0.61 GPR35 (0.78) S100A4KMT2AMEN1CA1CA2

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 S100A4 876/4885KMT2A 1250/4885MEN1 2187/4885

“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.