SCHEMBL10101968

SCHEMBL10101968

CCC(=NOCc1ccc([N+](=O)[O-])cc1)c1ccc(C)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.42
KLF5 Q13887 1/20 0.42
MAOB P27338 2/20 0.42
AKR1C3 P42330 1/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
MAOA P21397 1/20 0.39
IDO1 P14902 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 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
SCHEMBL15255586 0.87 HTT (0.47) SMN1; SMN2NPC1KMT2AMEN1RAB9A
SCHEMBL4747653 0.87 HTT (0.47) SMN1; SMN2NPC1KMT2AMEN1RAB9A
SCHEMBL10101946 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1KMT2AMEN1RAB9A
SCHEMBL10101728 0.84 MAPT (0.39) NPC1KMT2AMEN1RAB9AMAOB
SCHEMBL10101955 0.81 SMN1; SMN2 (0.42) SMN1; SMN2NPC1KMT2AMEN1RAB9A
SCHEMBL10102195 0.77 SMN1; SMN2 (0.39) SMN1; SMN2NPC1KMT2AMEN1RAB9A
SCHEMBL10102188 0.77 SMN1; SMN2 (0.39) SMN1; SMN2NPC1KMT2AMEN1RAB9A
SCHEMBL10102030 0.77 SMN1; SMN2 (0.48) SMN1; SMN2NPC1KMT2AMEN1RAB9A
SCHEMBL10102000 0.76 MAPT (0.53) SMN1; SMN2NPC1KMT2AMEN1RAB9A
SCHEMBL14042192 0.76 NPC1 (0.50) SMN1; SMN2NPC1KMT2AMEN1RAB9A

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 SMN1; SMN2 3060/4885NPC1 357/4885KMT2A 4832/4885

“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.