SCHEMBL3911050

SCHEMBL3911050

COc1ccc(C(=O)N2CCCCC2)c(C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 3/20 0.60
HPGD P15428 4/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 1/20 0.54
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.51
CES2 O00748 1/20 0.51
APP P05067 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL3910029 0.86 HTT (0.56) CPS1HPGDALDH1A1LMNAKDM4E
SCHEMBL3902455 0.85 HPGD (0.60) HPGDALDH1A1LMNAKDM4EHSD17B10
SCHEMBL3900880 0.84 CPS1 (0.62) CPS1HPGDALDH1A1LMNAKDM4E
SCHEMBL3901483 0.83 HPGD (0.55) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL29944001 0.82 HPGD (0.68) CPS1HPGDALDH1A1LMNAKDM4E
SCHEMBL6710672 0.82 HPGD (0.68) CPS1HPGDALDH1A1LMNAKDM4E
SCHEMBL29944466 0.82 ALDH1A1 (0.76) CPS1HPGDALDH1A1LMNAKDM4E
SCHEMBL3897794 0.81 KMT2A (0.50) ALDH1A1MEN1KMT2APOLB
SCHEMBL3895784 0.81 HPGD (0.53) HPGDALDH1A1LMNAGAATSHR
SCHEMBL2835948 0.79 PARP1 (0.55) HPGDALDH1A1LMNAKDM4EHSD17B10

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 CPS1 2839/4885HPGD 1693/4885ALDH1A1 3254/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CPS1 2744/4885HPGD 1467/4885ALDH1A1 1824/4885

“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.