SCHEMBL10155587

SCHEMBL10155587

CNC(=O)N[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](NC(=O)N3CC[C@@H](NC(=O)NC)C3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.47
EPHX2 P34913 9/20 0.46
EPHX1 P07099 2/20 0.46
HTT P42858 1/20 0.43
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL10159306 0.94 MAPK1 (0.51) KDM5AEPHX2EPHX1HTTKDM5C
SCHEMBL10159314 0.90 KDM5A (0.49) KDM5AEPHX2EPHX1KDM5CKDM5B
SCHEMBL10156602 0.83 HTT (0.46) EPHX2EPHX1HTTMAPK1POLB
SCHEMBL13853804 0.80 HTT (0.56) HTTKDM5BMAPK1POLB
SCHEMBL13853823 0.80 HTT (0.56) HTTKDM5BMAPK1POLB
SCHEMBL12522289 0.79 EPHX2 (0.71) EPHX2EPHX1
SCHEMBL13853789 0.79 HTT (0.59) HTTKDM5BMAPK1POLB
SCHEMBL14853467 0.79 KDM5A (0.46) KDM5AEPHX2EPHX1KDM5CKDM5B
SCHEMBL10155582 0.78 EPHX2 (0.56) EPHX2EPHX1
SCHEMBL965099 0.78

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
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 KDM5A 4286/4885EPHX2 2975/4885EPHX1 2784/4885

“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.