Sugi Predict

Sugi Predict / Compounds / SCHEMBL3899455

SCHEMBL3899455

SCHEMBL3899455

NC(=O)N1CCCCC1.O=C(O)c1ccc(S)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ PKM P14618 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ DTYMK P23919 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL3911103 0.86 MAPT (0.50) POLBMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL3898845 0.85 MAPT (0.49) POLBMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL3899956 0.85 POLB (0.49) POLBMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL3902378 0.84 POLB (0.46) POLBMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL3900886 0.83 POLB (0.47) POLBMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL4203103 0.82 DTYMK (0.49) POLBMAPTALDH1A1CYP3A4DTYMK
SCHEMBL3904110 0.82 HPD (0.52) POLBMAPTALDH1A1L3MBTL1GAA
SCHEMBL3903081 0.82 LMNA (0.46) POLBMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL3900588 0.82 MAPT (0.46) POLBMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL3900363 0.80 POLB (0.51) POLBMAPTALDH1A1SMN1; SMN2PKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 4576/4885MAPT 4478/4885ALDH1A1 3254/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 POLB 4671/4885MAPT 4689/4885ALDH1A1 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.