SCHEMBL3898554

SCHEMBL3898554

NC(=O)c1cc(-c2ccsc2)ccc1C(=O)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.45
CDC7 O00311 1/20 0.42
CDK9 P50750 1/20 0.42
CHEK2 O96017 2/20 0.41
GRIN2B Q13224 1/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
BTK Q06187 1/20 0.39
CHEK1 O14757 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
IKBKB O14920 2/20 0.37
CSF1R P07333 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3898560 0.86 KCNH2 (0.49) ACMSDGRIN2BHPGDLMNAHTT
SCHEMBL3901114 0.79 HDAC3 (0.55) GRIN2BHPGDALDH1A1NPC1RAB9A
SCHEMBL3909075 0.77 CDC7 (0.40) CDC7CDK9HPGDALDH1A1MEN1
SCHEMBL3899778 0.75 HTT (0.60) HPGDLMNAHTTHSP90AA1ALDH1A1
SCHEMBL3901908 0.74 ALDH1A1 (0.56) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL3911601 0.74 MAP2K2 (0.45) HPGDLMNAHTTHSP90AA1ALDH1A1
SCHEMBL4506867 0.74 ALDH1A1 (0.56) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL3901241 0.74 HPGD (0.51) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL3895784 0.74 HPGD (0.53) HPGDLMNAHTTALDH1A1MEN1
SCHEMBL4506300 0.74 MAP2K2 (0.45) HPGDLMNAHTTHSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US claimed
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 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 (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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR ACMSD 4213/4885CDC7 1506/4885CDK9 560/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 ACMSD 3074/4885CDC7 1312/4885CDK9 617/4885

“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.