SCHEMBL10102301

SCHEMBL10102301

C/C(=N\OCc1cccc(F)c1)c1ccc(C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAOB P27338 4/20 0.46
PPARG P37231 5/20 0.44
PPARA Q07869 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LMNA P02545 1/20 0.42
PTBP1 P26599 1/20 0.42
NR4A2 P43354 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
PARP10 Q53GL7 1/20 0.40
S1PR1 P21453 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
SCHEMBL10101803 0.90 NPC1 (0.47) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10102011 0.89 NPC1 (0.46) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10101794 0.88 S1PR1 (0.46) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL661453 0.85 RAB9A (0.46) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10106934 0.85 RAB9A (0.46) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10102289 0.84 RAB9A (0.46) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10101798 0.83 S1PR1 (0.47) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10101746 0.81 S1PR1 (0.43) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10106852 0.79 PTPN7 (0.46) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL25923622 0.77 IDO1 (0.53) RAB9AMAOBSMN1; SMN2NR4A2IDO1

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 RAB9A 3908/4885NPC1 357/4885MAOB 2633/4885

“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.