SCHEMBL914178

SCHEMBL914178

CCOC(=O)c1cc2c(OCc3ccoc3)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.54
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41

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
SCHEMBL914679 0.85 SRD5A2 (0.73) SRD5A2KDM4EALDH1A1RAB9ANPC1
SCHEMBL700753 0.85 SRD5A2 (0.73) SRD5A2KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL7005455 0.83 SRD5A2 (0.59) SRD5A2KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL7004252 0.82 SRD5A2 (0.58) SRD5A2KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL916058 0.82 SRD5A2 (0.49) SRD5A2KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL7006504 0.80 SRD5A2 (0.56) SRD5A2KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL15099347 0.78 KDM4E (0.49) SRD5A2KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL699482 0.78 FLT3 (0.60) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL914490 0.78 KDM4E (0.54) SRD5A2KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL8555912 0.77 SRD5A2 (0.47) SRD5A2KDM4EALDH1A1RAB9ASMN1; SMN2

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 9 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
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 CN 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
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 CN 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 849/4885KDM4E 4266/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885KDM4E 4275/4885ALDH1A1 1732/4885

“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.