SCHEMBL6571403

SCHEMBL6571403

CC(=NNC(=O)c1ccc(Cl)cc1)c1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.59
KDM1A O60341 2/20 0.59
AGTR1 P30556 1/20 0.59
OPRK1 P41145 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
RAB9A P51151 7/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
CYP3A4 P08684 3/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA9 Q16790 1/20 0.56
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
GAA P10253 1/20 0.53
CYP1A2 P05177 3/20 0.52

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
SCHEMBL6571399 1.00 NPC1 (0.59) NPC1KDM1AAGTR1OPRK1L3MBTL1
SCHEMBL13834567 0.89 RAB9A (0.72) NPC1KDM1AAGTR1OPRK1L3MBTL1
SCHEMBL13834568 0.89 RAB9A (0.72) NPC1KDM1AAGTR1OPRK1L3MBTL1
SCHEMBL14399944 0.86 KDM1A (0.62) NPC1KDM1AAGTR1OPRK1L3MBTL1
SCHEMBL684487 0.84 KDM1A (0.79) NPC1KDM1AAGTR1OPRK1L3MBTL1
SCHEMBL14399689 0.84 KDM1A (0.74) NPC1KDM1AAGTR1OPRK1L3MBTL1
SCHEMBL14404174 0.83 MAPT (0.54) NPC1KDM1AAGTR1OPRK1L3MBTL1
SCHEMBL27177850 0.81 NPC1 (0.72) NPC1KDM1AAGTR1OPRK1L3MBTL1
SCHEMBL27178212 0.81 NPC1 (0.72) NPC1KDM1AAGTR1OPRK1L3MBTL1
SCHEMBL27177914 0.81 NPC1 (0.72) NPC1KDM1AAGTR1OPRK1L3MBTL1

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-20040110963-A1 Novel hydrazones ARPIDA AG (CH) 2004-06-10 US claimed
US-20040110963-A1 Novel hydrazones ARPIDA AG (CH) 2004-06-10 US disclosed
EP-1404644-A2 NOVEL HYDRAZONES Arpida AG, (CH) 2004-04-07 EP disclosed
WO-2002070464-A2 HYDRAZONES AND THEIR THERAPEUTIC USE ARPIDA AG (CH) 2002-09-12 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-20040110963-A1 Novel hydrazones H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HK1, MPO NPC1 785/4885KDM1A 2684/4885AGTR1 1287/4885

“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.