SCHEMBL3901485

SCHEMBL3901485

CCCOc1ccc(C(=O)N2CCCCC2)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
MAOB P27338 2/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3902459 0.90 HPGD (0.62) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3901483 0.86 HPGD (0.55) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3900880 0.82 CPS1 (0.62) HPGDALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3910035 0.80 HTT (0.57) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3902950 0.77 RAB9A (0.51) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3901062 0.77 POLB (0.55) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3902455 0.75 HPGD (0.60) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL26028242 0.75 CPS1 (0.67) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3897795 0.75 KMT2A (0.51) ALDH1A1MEN1KMT2AL3MBTL1HRH3
SCHEMBL11153695 0.75 ALDH1A1 (0.55) HPGDALDH1A1KMT2AHSD17B10KDM4E

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 HPGD 1693/4885ALDH1A1 3254/4885SMN1; SMN2 385/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 HPGD 1467/4885ALDH1A1 1824/4885SMN1; SMN2 376/4885

“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.