SCHEMBL10102188

SCHEMBL10102188

Cc1ccc(C(=NOCc2ccc([N+](=O)[O-])cc2)[C@H]2CC[C@H](CCO)CC2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
S1PR1 P21453 1/20 0.39
MAPT P10636 7/20 0.37
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
MAOB P27338 1/20 0.35
AKR1C3 P42330 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ACHE P22303 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10102195 1.00 SMN1; SMN2 (0.39) SMN1; SMN2NPC1S1PR1MAPTALDH1A1
SCHEMBL15251330 0.89 HTT (0.39) SMN1; SMN2NPC1S1PR1MAPTALDH1A1
SCHEMBL15251319 0.89 HTT (0.39) SMN1; SMN2NPC1S1PR1MAPTALDH1A1
SCHEMBL15251318 0.89 HTT (0.39) SMN1; SMN2NPC1S1PR1MAPTALDH1A1
SCHEMBL10101776 0.88 MEN1 (0.40) S1PR1KMT2AMEN1L3MBTL1ACHE
SCHEMBL10101775 0.88 MEN1 (0.40) S1PR1KMT2AMEN1L3MBTL1ACHE
SCHEMBL10101968 0.77 SMN1; SMN2 (0.46) SMN1; SMN2NPC1MAPTALDH1A1KMT2A
SCHEMBL10101946 0.77 SMN1; SMN2 (0.48) SMN1; SMN2NPC1S1PR1MAPTALDH1A1
SCHEMBL10814382 0.75 ALDH1A1 (0.50) SMN1; SMN2NPC1S1PR1MAPTALDH1A1
SCHEMBL10102194 0.70 MEN1 (0.39) NPC1KMT2AMEN1RAB9AACHE

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 357/4885S1PR1 909/4885

“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.