SCHEMBL3905798

SCHEMBL3905798

C=Cc1ccc(C(=O)N2CCCCC2)c(C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HTT P42858 3/20 0.41
HPGD P15428 8/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
GFER P55789 1/20 0.39
YWHAG P61981 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL3905805 0.84 HDAC3 (0.56) HDAC3HDAC1HDAC2HTTHPGD
SCHEMBL3897136 0.80 ALDH1A1 (0.48) HTTHPGDALDH1A1NPC1MEN1
SCHEMBL3899778 0.79 HTT (0.60) HTTHPGDALDH1A1MEN1KMT2A
SCHEMBL4506867 0.78 ALDH1A1 (0.56) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL3895784 0.78 HPGD (0.53) HTTHPGDALDH1A1NPC1MEN1
SCHEMBL3901241 0.78 HPGD (0.51) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL3911601 0.78 MAP2K2 (0.45) HTTHPGDALDH1A1NPC1MEN1
SCHEMBL3901908 0.78 ALDH1A1 (0.56) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL4506300 0.78 MAP2K2 (0.45) HTTHPGDALDH1A1NPC1MEN1
SCHEMBL3901377 0.78 RAB9A (0.52) HPGDNPC1MEN1KMT2ALMNA

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 7 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
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO 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.