SCHEMBL914692

SCHEMBL914692

O=C(NN1CCCCC1)c1cc2c(OCc3ccoc3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.48
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.39
PKM P14618 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RCE1 Q9Y256 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 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
SCHEMBL914012 0.83 SRD5A2 (0.43) SRD5A2NPC1RAB9AKMT2APOLB
SCHEMBL913733 0.81 SRD5A2 (0.44) SRD5A2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL914679 0.81 SRD5A2 (0.73) SRD5A2NPC1RAB9AKMT2APOLB
SCHEMBL27653275 0.79 SRD5A2 (0.47) SRD5A2NPC1RAB9AKMT2APOLB
SCHEMBL914073 0.79 KDM4E (0.46) SRD5A2NPC1RAB9AKMT2APOLB
SCHEMBL914276 0.79 SRD5A2 (0.40) SRD5A2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL914691 0.79 SRD5A2 (0.47) SRD5A2NPC1RAB9AKMT2APOLB
Hydrochloric Acid SCHEMBL916270 0.79 ALDH1A1 (0.46) SRD5A2NPC1RAB9AKMT2APOLB
SCHEMBL914458 0.79 CNR2 (0.49) SRD5A2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL915417 0.78 KMT2A (0.43) SRD5A2NPC1RAB9AKMT2APOLB

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 849/4885NPC1 1206/4885RAB9A 389/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885NPC1 1171/4885RAB9A 389/4885

“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.