SCHEMBL3897136

SCHEMBL3897136

C=CCc1ccc(C(=O)N2CCCCC2)c(C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
PARP1 P09874 7/20 0.40
ADRA1D P25100 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3897143 0.85 HPGD (0.49) ALDH1A1HPGDLMNAHTTMEN1
SCHEMBL3901059 0.82 POLB (0.54) ALDH1A1HPGDLMNAHTTMEN1
SCHEMBL3902947 0.80 RAB9A (0.50) ALDH1A1HPGDLMNAHTTMEN1
SCHEMBL3905798 0.80 HDAC3 (0.48) ALDH1A1HPGDLMNAHTTMEN1
SCHEMBL3899778 0.76 HTT (0.60) ALDH1A1HPGDLMNAHTTMEN1
SCHEMBL14141394 0.76 HPGD (0.65) ALDH1A1HPGDLMNAHTTMEN1
SCHEMBL4506867 0.75 ALDH1A1 (0.56) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL3901908 0.75 ALDH1A1 (0.56) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL3895784 0.75 HPGD (0.53) ALDH1A1HPGDLMNAHTTMEN1
SCHEMBL3901241 0.75 HPGD (0.51) ALDH1A1HPGDMEN1KMT2APARP1

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 3254/4885HPGD 1693/4885LMNA 4502/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 ALDH1A1 1824/4885HPGD 1467/4885LMNA 4407/4885

“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.