SCHEMBL10107046

SCHEMBL10107046

Cc1cccc(CONCl)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
MAOB P27338 6/20 0.49
TAAR1 Q96RJ0 1/20 0.46
MAOA P21397 2/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ACHE P22303 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 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
SCHEMBL13938654 0.82 IDO1 (0.60) IDO1MAOBTAAR1MAOAPOLB
SCHEMBL24067485 0.81 IDO1 (0.58) IDO1MAOBTAAR1MAOAPOLB
SCHEMBL27955213 0.78 IDO1 (0.64) IDO1MAOBTAAR1MAOATHRA
SCHEMBL6667381 0.77 IDO1 (0.69) IDO1MAOBTAAR1MAOAACHE
SCHEMBL10106851 0.77 IDO1 (0.58) IDO1MAOBTAAR1MAOA
SCHEMBL12379 0.75 IDO1 (0.67) IDO1MAOBTAAR1MAOAPOLB
SCHEMBL30253988 0.75 IDO1 (0.67) IDO1MAOBTAAR1MAOAPOLB
SCHEMBL19658013 0.75 IDO1 (0.56) IDO1MAOBTAAR1MAOAPOLB
SCHEMBL4589000 0.74 TSHR (0.52) IDO1RAB9AALDH1A1
SCHEMBL11019394 0.74 IDO1 (0.60) IDO1MAOBTAAR1MAOAALDH1A1

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 3 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
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 IDO1 2049/4885MAOB 2633/4885TAAR1 3946/4885

“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.