Sugi Predict

Sugi Predict / Compounds / SCHEMBL3900514

SCHEMBL3900514

SCHEMBL3900514

NC(=O)c1cc(-n2cccc2)ccc1C(=O)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ CCKBR P32239 1/20 0.46
▸ HPGD P15428 6/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AVPR2 P30518 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL3900520 0.84 ALDH1A1 (0.60) ALDH1A1CCKBRHPGDKDM4EPOLB
SCHEMBL3899778 0.78 HTT (0.60) ALDH1A1CCKBRHPGDKDM4EPOLB
SCHEMBL5166136 0.77 SMN1; SMN2 (0.59) ALDH1A1HPGDKDM4EPOLBMEN1
SCHEMBL1583125 0.77 SMN1; SMN2 (0.59) ALDH1A1HPGDKDM4EPOLBMEN1
SCHEMBL3895784 0.77 HPGD (0.53) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL4506300 0.77 MAP2K2 (0.45) ALDH1A1CCKBRHPGDPOLBMEN1
SCHEMBL3900298 0.77 RAB9A (0.52) HPGDKDM4EPOLBHSD17B10MEN1
SCHEMBL3901908 0.77 ALDH1A1 (0.56) ALDH1A1CCKBRHPGDMEN1KMT2A
SCHEMBL3911601 0.77 MAP2K2 (0.45) ALDH1A1CCKBRHPGDPOLBMEN1
SCHEMBL4506867 0.77 ALDH1A1 (0.56) ALDH1A1CCKBRHPGDMEN1KMT2A

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

“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.