SCHEMBL11973496

SCHEMBL11973496

CCC(=O)c1ccc2cccnc2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ EGLN1 Q9GZT9 12/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ GMNN O75496 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ CCR1 P32246 1/20 0.46
▸ THPO P40225 1/20 0.46

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
SCHEMBL12647755 0.84 ALDH1A1 (0.67) ALDH1A1EGLN1KDM4EHSP90AA1
SCHEMBL12883029 0.82 PARP1 (0.62) LMNAALDH1A1PARP1KDM4ETP53
SCHEMBL11973430 0.82 LMNA (0.56) LMNAALDH1A1PARP1EGLN1KDM4E
SCHEMBL16383149 0.80 ALDH1A1 (0.70) LMNAALDH1A1PARP1EGLN1KDM4E
SCHEMBL8139304 0.78 KDM4E (0.56) LMNAALDH1A1PARP1EGLN1KDM4E
SCHEMBL15301396 0.76 KDM4E (0.52) LMNAALDH1A1PARP1EGLN1KDM4E
SCHEMBL21901499 0.76 CYP1A1 (0.51) LMNAALDH1A1KDM4ETP53GMNN
Hydrochloric Acid SCHEMBL28782909 0.75 KDM4E (0.50) LMNAALDH1A1PARP1EGLN1KDM4E
SCHEMBL28465492 0.75 ALDH1A1 (0.54) LMNAALDH1A1PARP1EGLN1KDM4E
SCHEMBL13545172 0.75 NAPRT (0.61) ALDH1A1PARP1KDM4ECYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 — — EP disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 — — US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 — — US disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 — — 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 (2 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-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 LMNA 4127/4885ALDH1A1 3570/4885PARP1 4390/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 LMNA 4127/4885ALDH1A1 3570/4885PARP1 4390/4885

“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.

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