SCHEMBL19007010

SCHEMBL19007010

CC(C)c1cccc2c(CCSS)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ PSMD14 O00487 1/20 0.36
▸ COPS5 Q92905 1/20 0.36
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ TNF P01375 1/20 0.31

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
SCHEMBL21969446 0.90 KDM4E (0.39) KDM4ELMNAMAPTALOX12MAOA
SCHEMBL12128843 0.74 LMNA (0.45) KDM4ELMNAMAPTTSHRTP53
SCHEMBL12533426 0.72 PSMD14 (0.62) LMNATSHRPSMD14COPS5TAAR1
SCHEMBL23609596 0.70 LMNA (0.42) KDM4ELMNAMAPTTSHRTP53
SCHEMBL26526006 0.70 LMNA (0.45) KDM4ELMNAMAPTTSHRTP53
SCHEMBL23809372 0.66 L3MBTL1 (0.62) KDM4ELMNAALOX12PSMD14NPC1
SCHEMBL11321990 0.66 L3MBTL1 (0.48) KDM4ELMNAMAPTTSHRTP53
SCHEMBL13051719 0.63 LMNA (0.44) KDM4ELMNAMAPTTSHRTP53
SCHEMBL19012503 0.63 LMNA (0.47) LMNATSHRTP53PSMD14COPS5
SCHEMBL15343062 0.63 SLC40A1 (0.54) KDM4ELMNAMAPTALOX12PSMD14

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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 — — 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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 KDM4E 814/4885LMNA 3060/4885MAPT 3014/4885

“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.

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