SCHEMBL3910035

SCHEMBL3910035

CC(C)Oc1ccc(C(=O)N2CCCCC2)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
LPAR5 Q9H1C0 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CPS1 P31327 3/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.44
HPGD P15428 5/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3900880 0.86 CPS1 (0.62) MEN1KMT2AGAACPS1ALDH1A1
SCHEMBL3910029 0.85 HTT (0.56) HTTMEN1KMT2AGAALPAR5
SCHEMBL3902459 0.82 HPGD (0.62) MEN1KMT2AGAAL3MBTL3L3MBTL1
SCHEMBL3901485 0.80 HPGD (0.56) MEN1KMT2AGAAL3MBTL3L3MBTL1
SCHEMBL3904117 0.80 ALDH1A1 (0.51) HTTMEN1KMT2AGAALPAR5
SCHEMBL3897795 0.78 KMT2A (0.51) HTTMEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL29944014 0.78 KMT2A (0.68) HTTMEN1KMT2AGAAL3MBTL1
SCHEMBL3895787 0.78 HPGD (0.54) HTTMEN1KMT2AGAAL3MBTL3
SCHEMBL3899784 0.77 L3MBTL3 (0.54) HTTMEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL16856324 0.77 ALDH1A1 (0.58) KMT2AGAAALDH1A1HPGDMAPT

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 HTT 2234/4885MEN1 2768/4885KMT2A 3053/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 HTT 3165/4885MEN1 2441/4885KMT2A 3281/4885

“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.