SCHEMBL3897113

SCHEMBL3897113

CN(C)c1ccc(C(=O)N2CCCCC2)c(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.44
LPAR5 Q9H1C0 2/20 0.43
HPGD P15428 6/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AVPR2 P30518 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL3897119 0.84 L3MBTL3 (0.48) CCKBRLPAR5HPGDLMNATSHR
SCHEMBL3895784 0.81 HPGD (0.53) HPGDLMNATSHRALDH1A1MEN1
SCHEMBL3899778 0.79 HTT (0.60) CCKBRHPGDLMNATSHRALDH1A1
SCHEMBL3898289 0.78 HPGD (0.67) HPGDLMNATSHRALDH1A1MEN1
SCHEMBL5097993 0.78 NPC1 (0.56) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3901908 0.78 ALDH1A1 (0.56) CCKBRHPGDLMNAALDH1A1MEN1
SCHEMBL3911601 0.78 MAP2K2 (0.45) CCKBRHPGDLMNATSHRALDH1A1
SCHEMBL4506300 0.78 MAP2K2 (0.45) CCKBRHPGDLMNATSHRALDH1A1
SCHEMBL3901241 0.78 HPGD (0.51) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL4506867 0.78 ALDH1A1 (0.56) CCKBRHPGDLMNAALDH1A1MEN1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CCKBR 1/4885LPAR5 2349/4885HPGD 1693/4885

“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.