SCHEMBL3901246

SCHEMBL3901246

Nc1cc(F)ccc1C(=O)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR1 P21554 2/20 0.50
ADORA2A P29274 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
HSD11B1 P28845 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL1136108 0.98 L3MBTL3 (0.52) HPGDALDH1A1RAB9AL3MBTL3L3MBTL1
SCHEMBL15401523 0.95 SMN1; SMN2 (0.51) HPGDALDH1A1RAB9AL3MBTL3L3MBTL1
SCHEMBL29816274 0.83 CNR1 (0.63) HPGDALDH1A1RAB9ACNR1USP2
SCHEMBL3899784 0.83 L3MBTL3 (0.54) HPGDALDH1A1L3MBTL3L3MBTL1USP2
SCHEMBL3901241 0.83 HPGD (0.51) HPGDALDH1A1RAB9ACNR1USP2
SCHEMBL15402240 0.82 KEAP1 (0.56) HPGDALDH1A1CNR1USP2HTT
Hydrochloric Acid SCHEMBL28469010 0.82 CNR1 (0.61) HPGDALDH1A1RAB9ACNR1USP2
SCHEMBL4506305 0.81 L3MBTL3 (0.51) HPGDALDH1A1L3MBTL3L3MBTL1USP2
SCHEMBL4506873 0.81 ALDH1A1 (0.54) HPGDALDH1A1RAB9AL3MBTL3L3MBTL1
SCHEMBL3095769 0.81 RAB9A (0.60) HPGDALDH1A1RAB9AL3MBTL3L3MBTL1

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 3254/4885RAB9A 2365/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 HPGD 1467/4885ALDH1A1 1824/4885RAB9A 2813/4885

“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.