SCHEMBL19206080

SCHEMBL19206080

c1ccc(Oc2cccc(CN3CCCC3)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
PTGS2 P35354 1/20 0.56
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
TRPV6 Q9H1D0 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
GAA P10253 2/20 0.51
SIGMAR1 Q99720 1/20 0.49
MGLL Q99685 1/20 0.47
FAAH O00519 1/20 0.47
PRMT6 Q96LA8 1/20 0.47

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
SCHEMBL19206082 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHTTLMNA
SCHEMBL6499571 0.81 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDHTTLMNA
SCHEMBL6496864 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHTTLMNA
SCHEMBL25295344 0.79 MGLL (0.52) ALDH1A1KDM4EHPGDHTTLMNA
SCHEMBL17099372 0.78 CCR8 (0.53) KDM4ELMNATSHRMGLL
SCHEMBL1747080 0.77 MGLL (0.47) SMN1; SMN2TSHRMGLL
SCHEMBL3294752 0.77 LOXL2 (0.62) MGLL
SCHEMBL27233574 0.77 TLR4 (0.47) LTA4HPTGS2ALDH1A1KDM4EHPGD
SCHEMBL5024643 0.77 TLR4 (0.47) PTGS2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL19206091 0.77 TRPV6 (0.74) ALDH1A1KDM4EHPGDHTTLMNA

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-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 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 (2 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A LTA4H 2780/4885PTGS2 2935/4885ALDH1A1 3556/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A LTA4H 2780/4885PTGS2 2935/4885ALDH1A1 3556/4885

“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.