SCHEMBL3911491

SCHEMBL3911491

NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
MAPT P10636 2/20 0.68
ALDH1A1 P00352 11/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
HPGD P15428 2/20 0.67
SMN1; SMN2 Q16637 6/20 0.65
LMNA P02545 3/20 0.52
RXFP1 Q9HBX9 1/20 0.50
MAPK1 P28482 1/20 0.49
SLC6A9 P48067 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48

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
SCHEMBL3911494 0.84 MAPT (0.70) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL10126597 0.82 ALDH1A1 (0.69) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL22767393 0.82 SMN1; SMN2 (0.72) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL4029063 0.82 MAPT (0.70) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL29451985 0.82 ALDH1A1 (0.69) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL10126582 0.82 MAPT (0.70) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL22767345 0.80 LMNA (0.74) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL3426210 0.80 MAPT (0.72) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL3427781 0.80 MAPT (0.72) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL6398309 0.80 KMT2A (0.71) POLBMAPTALDH1A1KMT2AMEN1

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 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.