SCHEMBL3604523

SCHEMBL3604523

C1=C(N(Cc2ccccc2)C2CC2)OCO1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.36
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 5/20 0.35
G6PC1 P35575 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GRIN2B Q13224 1/20 0.33
RAB9A P51151 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
DRD3 P35462 1/20 0.32
SLC18A3 Q16572 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
SCHEMBL6393397 0.90 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL8327787 0.77 CCR5 (0.34) KDM4EATMNPSR1TDP1ALDH1A1
SCHEMBL761128 0.77 TSHR (0.45) SLC6A2SLC6A4SLC6A3RAB9ATAAR1
SCHEMBL4240610 0.77 UBE2M (0.43) MEN1KMT2A
SCHEMBL2504679 0.76 AOC3 (0.41) NPSR1RAB9AALDH1A1TSHR
Hydrochloric Acid SCHEMBL1881838 0.74 AOC3 (0.40) MEN1KMT2AGRIN2BALDH1A1TSHR
SCHEMBL4747223 0.73 TRPM8 (0.42) NPSR1RAB9AALDH1A1TSHR
SCHEMBL1238800 0.73 OPRM1 (0.39) SLC6A2SLC6A4SLC6A3G6PC1ATM
SCHEMBL182883 0.72 CA2 (0.35) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL976922 0.70 ALDH1A1 (0.39) KDM4ENPSR1TDP1MEN1KMT2A

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-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 YTHDC1 4149/4885SLC6A2 4407/4885SLC6A4 4562/4885

“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.