SCHEMBL913733

SCHEMBL913733

O=C(NN1CCCCC1)c1cc2c(OCc3coc4ccccc34)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.44
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
RCE1 Q9Y256 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPT P10636 1/20 0.36
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
AMY1A P0DUB6 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 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
SCHEMBL914276 0.91 SRD5A2 (0.40) SRD5A2KMT2APOLBNPC1RAB9A
SCHEMBL914168 0.90 NPC1 (0.42) SRD5A2KMT2APOLBNPC1RAB9A
SCHEMBL913950 0.82 SRD5A2 (0.65) SRD5A2KMT2APOLBNPC1RAB9A
SCHEMBL914692 0.81 SRD5A2 (0.48) SRD5A2KMT2APOLBNPC1RAB9A
SCHEMBL913732 0.80 SMYD3 (0.43) SRD5A2KMT2APOLBNPC1RAB9A
SCHEMBL913971 0.79 ADRA2A (0.41) SRD5A2DRD2DRD4DRD3
SCHEMBL6962655 0.77 MAOB (0.37) SRD5A2KMT2ARCE1KDM4EDRD2
SCHEMBL13593469 0.77 MAOB (0.37) SRD5A2KMT2ARCE1KDM4EDRD2
SCHEMBL914073 0.77 KDM4E (0.46) SRD5A2KMT2APOLBNPC1RAB9A
SCHEMBL914811 0.77 PARP1 (0.44) KMT2APOLBLMNAMEN1MAPT

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 SRD5A2 849/4885KMT2A 4109/4885POLB 2951/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885KMT2A 4125/4885POLB 2924/4885

“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.