SCHEMBL3908856

SCHEMBL3908856

NC(=O)N1CCCCC1.Nc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.51
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
IKBKB O14920 1/20 0.47
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACMSD Q8TDX5 3/20 0.45
HNF4A P41235 2/20 0.45
DHFR P00374 1/20 0.42
MCL1 Q07820 1/20 0.42
NAAA Q02083 1/20 0.42
ACLY P53396 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 2/20 0.41
DCLRE1A Q6PJP8 1/20 0.41

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
SCHEMBL3896505 0.85 HPGD (0.58) HPGDMAPK1IKBKBKMT2ALMNA
SCHEMBL30456877 0.82 PPM1B (0.71) PPM1BHPGDIKBKBKMT2ALMNA
SCHEMBL2575452 0.82 PPM1B (0.71) PPM1BHPGDIKBKBKMT2ALMNA
SCHEMBL3900886 0.81 POLB (0.47) HPGDMAPK1KMT2ALMNAMEN1
SCHEMBL3900572 0.81 IDO1 (0.66) HPGDMAPK1KMT2ALMNAMEN1
SCHEMBL3911100 0.81 IP6K1 (0.42) PPM1BHPGDKMT2AMEN1KDM4E
SCHEMBL3911525 0.81 RAB9A (0.55) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL3895566 0.81 KDM4E (0.49) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL3905789 0.77 HPGD (0.68) HPGDKMT2ALMNAMEN1KDM4E
SCHEMBL3899360 0.77 HDAC3 (0.51) PPM1BHPGDKMT2AMEN1SMN1; SMN2

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 PPM1B 2484/4885HPGD 1693/4885MAPK1 597/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 PPM1B 1525/4885HPGD 1467/4885MAPK1 372/4885

“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.