SCHEMBL3901121

SCHEMBL3901121

Nc1cc(-c2cccs2)ccc1C(=O)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.62
HDAC1 Q13547 11/20 0.62
HDAC2 Q92769 11/20 0.62
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNH2 Q12809 1/20 0.50
ADORA2A P29274 2/20 0.49
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3901114 0.86 HDAC3 (0.55) HDAC3HDAC1HDAC2NPC1ALDH1A1
SCHEMBL764280 0.85 ABL1 (0.53) HDAC3HDAC1HDAC2NPC1ALDH1A1
SCHEMBL764282 0.83 HDAC3 (0.52) HDAC3HDAC1HDAC2NPC1ALDH1A1
SCHEMBL764268 0.83 ABL1 (0.54) HDAC3HDAC1HDAC2NPC1ALDH1A1
SCHEMBL3896505 0.80 HPGD (0.58) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3898560 0.78 KCNH2 (0.49) HDAC3HDAC1HDAC2NPC1ALDH1A1
SCHEMBL21857924 0.78 KCNH2 (0.62) HDAC3HDAC1HDAC2KCNH2
SCHEMBL13833395 0.77 HDAC1 (1.00) HDAC3HDAC1HDAC2
SCHEMBL764236 0.76 ABL1 (0.76) HDAC3HDAC1HDAC2NPC1ALDH1A1
SCHEMBL13833557 0.75 HDAC1 (1.00) HDAC3HDAC1HDAC2

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 HDAC3 1351/4885HDAC1 1315/4885HDAC2 576/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 HDAC3 1420/4885HDAC1 1173/4885HDAC2 418/4885

“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.