SCHEMBL17099397

SCHEMBL17099397

Cc1cc(C)cc(Oc2cccc(C=O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.54
MAOB P27338 7/20 0.54
SRC P12931 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TTR P02766 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL30644969 0.91 MAOA (0.62) MAOAMAOBSRCNPSR1ALDH1A1
SCHEMBL1745573 0.91 MAOA (0.62) MAOAMAOBSRCNPSR1ALDH1A1
SCHEMBL12516864 0.89 TERT (0.51) MAOAMAOBSRCNPSR1ALDH1A1
SCHEMBL30631693 0.87 SRC (0.60) MAOAMAOBSRCALDH1A1TDP1
SCHEMBL6849018 0.87 SRC (0.60) MAOAMAOBSRCALDH1A1TDP1
SCHEMBL1071646 0.86 MAOA (0.62) MAOAMAOBSRCALDH1A1TDP1
SCHEMBL30644950 0.86 MAOA (0.62) MAOAMAOBSRCALDH1A1TDP1
SCHEMBL6852137 0.85 SRC (0.58) MAOAMAOBSRCALDH1A1TDP1
SCHEMBL6856729 0.83 SRC (0.56) MAOAMAOBSRCALDH1A1TDP1
Benzene SCHEMBL17267850 0.83 MAOA (0.58) MAOAMAOBSRCALDH1A1TDP1

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 4 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
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 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 (3 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 MAOA 2038/4885MAOB 1817/4885SRC 2089/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MAOA 2038/4885MAOB 1817/4885SRC 2089/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A MAOA 2038/4885MAOB 1817/4885SRC 2089/4885

“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.