SCHEMBL662310

SCHEMBL662310

COc1cc2c(cc1OC)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TLR9 Q9NR96 1/20 0.44
APP P05067 1/20 0.44
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
ABCB1 P08183 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL662311 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL662312 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10102264 0.85 MAPT (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10106848 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1394847 0.78 CCNB2 (0.48) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4783985 0.78 CCNB2 (0.48) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL659058 0.78 HTT (0.44) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL659057 0.78 HTT (0.44) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL660998 0.70 HTT (0.46) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL660997 0.70 HTT (0.46) ALDH1A1KDM4EMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 ALDH1A1 2237/4885KDM4E 4196/4885MEN1 3782/4885

“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.