SCHEMBL3910029

SCHEMBL3910029

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 4/20 0.48
LPAR5 Q9H1C0 1/20 0.47
LMNA P02545 2/20 0.46
PARP10 Q53GL7 1/20 0.45
CPS1 P31327 3/20 0.45
HPGD P15428 5/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL3911050 0.86 CPS1 (0.60) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL3910035 0.85 HTT (0.57) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL3902455 0.83 HPGD (0.60) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL3904114 0.81 KMT2A (0.50) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL3901483 0.81 HPGD (0.55) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL3897794 0.79 KMT2A (0.50) HTTMEN1KMT2AALDH1A1PARP10
SCHEMBL3895784 0.79 HPGD (0.53) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL3899778 0.77 HTT (0.60) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL29944014 0.77 KMT2A (0.68) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL3898289 0.76 HPGD (0.67) HTTMEN1KMT2AGAAALDH1A1

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.