SCHEMBL10102264

SCHEMBL10102264

Cc1cc2c(cc1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 9/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38

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 0.85 ALDH1A1 (0.47) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL662310 0.85 ALDH1A1 (0.47) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL662312 0.85 ALDH1A1 (0.47) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL10102240 0.75 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL11697837 0.68 ALDH1A1 (0.61) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL10102248 0.68 MAPT (0.40) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL19252884 0.67 L3MBTL1 (0.62) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL16200614 0.66 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL1394847 0.65 CCNB2 (0.48) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL397319 0.65 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9AGAA

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 2 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-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US 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 MAPT 2433/4885SMN1; SMN2 3060/4885NPC1 357/4885

“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.