SCHEMBL1606274

SCHEMBL1606274

Cn1cc(OBOc2cn(C)c3cc(F)ccc23)c2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
DRD2 P14416 2/20 0.42
SLC6A4 P31645 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GSK3B P49841 2/20 0.38
PRKCA P17252 1/20 0.38
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
RHEB Q15382 1/20 0.33
SCN9A Q15858 1/20 0.32
ICMT O60725 1/20 0.32
CDK2 P24941 2/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL31302694 0.75 DRD2 (0.46) IDO1TDO2DRD2SLC6A4ALDH1A1
SCHEMBL1606642 0.75 GPR84 (0.48) IDO1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL823083 0.73 DRD2 (0.47) IDO1TDO2DRD2SLC6A4ALDH1A1
SCHEMBL9796452 0.73 ATM (0.44) IDO1TDO2DRD2SLC6A4ALDH1A1
SCHEMBL13806399 0.72 IDO1 (0.47) IDO1TDO2DRD2SLC6A4ALDH1A1
SCHEMBL9796420 0.71 ATM (0.43) IDO1TDO2DRD2SLC6A4ALDH1A1
SCHEMBL9796281 0.70 ATM (0.42) IDO1TDO2DRD2SLC6A4ALDH1A1
SCHEMBL820572 0.69 DRD2 (0.43) IDO1TDO2DRD2SLC6A4ALDH1A1
SCHEMBL22316061 0.69 SCN9A (0.44) IDO1TDO2DRD2SLC6A4ALDH1A1
SCHEMBL18508627 0.69 DRD2 (0.50) IDO1TDO2DRD2SLC6A4ALDH1A1

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-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 IDO1 1181/4885TDO2 361/4885DRD2 2487/4885

“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.