SCHEMBL13813017

SCHEMBL13813017

Bc1ccc(CN2CCN(c3cc(=O)[nH]cn3)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
METTL3 Q86U44 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PARP1 P09874 2/20 0.34
TRPC5 Q9UL62 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
GPR6 P46095 3/20 0.33
RET P07949 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL2924092 0.86 OPRM1 (0.44) POLBTRPC5
SCHEMBL2926479 0.80 TSHR (0.39) POLBSMN1; SMN2KDM4AKDM4BKDM5C
SCHEMBL2926584 0.80 GALR3 (0.51) POLBKDM4ESMN1; SMN2TRPC5ALDH1A1
SCHEMBL2924574 0.79 POLB (0.43) POLBKDM4ESMN1; SMN2KDM4AKDM4B
SCHEMBL2918926 0.78 ALDH1A1 (0.49) KDM4EPARP1PARP2ALDH1A1KMT2A
SCHEMBL2926769 0.77 TRPC5 (0.43) KDM4EKDM4AKDM4BKDM5CKDM5B
SCHEMBL2926406 0.77 CA1 (0.40) PARP1TRPC5PARP2HTR1AHTR2A
SCHEMBL2926143 0.77 KDM4E (0.36) POLBKDM4ESMN1; SMN2KDM4AKDM4B
SCHEMBL2925865 0.77 GRIN2B (0.44) POLBSMN1; SMN2TRPC5DRD2DRD1
SCHEMBL2925554 0.77 ALDH1A1 (0.58) KDM4ESMN1; SMN2DRD2ALDH1A1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 POLB 3147/4885KDM4E 856/4885SMN1; SMN2 1950/4885

“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.