SCHEMBL913732

SCHEMBL913732

O=C(NC1CCNCC1)c1cc2c(OCc3coc4ccccc34)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.43
SRD5A2 P31213 1/20 0.43
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TOP2A P11388 2/20 0.36
KMT2A Q03164 2/20 0.36
PSMB5 P28074 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
MEN1 O00255 1/20 0.36
RCE1 Q9Y256 1/20 0.36
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35
PARP1 P09874 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL914274 0.91 SMYD3 (0.41) SMYD3SRD5A2NPC1POLBRAB9A
SCHEMBL914167 0.90 SMYD3 (0.41) SMYD3SRD5A2NPC1POLBRAB9A
SCHEMBL913971 0.86 ADRA2A (0.41) SRD5A2MAOB
SCHEMBL914811 0.84 PARP1 (0.44) POLBL3MBTL1KMT2AMEN1PARP1
SCHEMBL914309 0.82 DRD2 (0.38) MAOBKMT2A
SCHEMBL915891 0.81 KMT2A (0.38) SRD5A2NPC1POLBRAB9AMAOB
SCHEMBL13593469 0.81 MAOB (0.37) SRD5A2MAOBKMT2ARCE1
SCHEMBL6962655 0.81 MAOB (0.37) SRD5A2MAOBKMT2ARCE1
SCHEMBL914691 0.81 SRD5A2 (0.47) SMYD3SRD5A2NPC1POLBRAB9A
SCHEMBL913950 0.81 SRD5A2 (0.65) SRD5A2NPC1POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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 (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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SMYD3 3615/4885SRD5A2 849/4885NPC1 1206/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SMYD3 3572/4885SRD5A2 869/4885NPC1 1171/4885

“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.