SCHEMBL12428741

SCHEMBL12428741

CCOC(=O)c1sc(SC)nc1NC(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.61
LMNA P02545 4/20 0.56
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
DHODH Q02127 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL2499122 0.87 TRPM8 (0.46) TRPM8LMNAHSD17B10NPSR1CYP1A2
SCHEMBL25392748 0.84 LMNA (0.66) TRPM8LMNAALDH1A1HSD17B10HPGD
SCHEMBL21206864 0.83 TRPM8 (0.42) TRPM8LMNAALDH1A1HPGDCYP1A2
SCHEMBL12428749 0.81 LMNA (0.65) TRPM8LMNAALDH1A1HSD17B10HPGD
SCHEMBL20489652 0.81 TRPM8 (0.39) TRPM8LMNAALDH1A1HPGDNPSR1
SCHEMBL21206872 0.80 TRPM8 (0.40) TRPM8LMNAALDH1A1CYP1A2NPC1
SCHEMBL14777624 0.78 LMNA (0.60) TRPM8LMNAALDH1A1HSD17B10HPGD
SCHEMBL9296255 0.77 LMNA (0.70) TRPM8LMNAALDH1A1HSD17B10HPGD
SCHEMBL13437895 0.75 LMNA (0.72) LMNAALDH1A1HSD17B10HPGDNPSR1
SCHEMBL12428742 0.74 LMNA (0.55) TRPM8LMNAALDH1A1HSD17B10HPGD

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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
WO-2011100838-A1 DERIVATIVES OF 1-PHENYL-1,5-DIHYDRO-BENZO[B] [1.4]DIAZEPINE-2.4-DIONE AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication MED1, ZC3HAV1, BET1 TRPM8 4460/4885LMNA 1695/4885ALDH1A1 1813/4885

“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.