SCHEMBL3910795

SCHEMBL3910795

Nc1cc(Cl)ccc1C(=O)N1CCCC2CCCCC21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.53
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.44
HSD17B1 P14061 1/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABL1 P00519 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL3910792 0.87 HSD11B1 (0.51) HSD11B1DRD2DRD4POLBTDP1
SCHEMBL3904105 0.83 HPGD (0.57) HSD11B1POLBRAB9AKDM4EALDH1A1
SCHEMBL5663191 0.83 HSD11B1 (0.48) HSD11B1DRD2DRD4POLBTDP1
SCHEMBL3901092 0.82 RAB9A (0.48) HSD11B1POLBTDP1RAB9AKDM4E
SCHEMBL3913114 0.79 CNR2 (0.49) TDP1RAB9AKDM4EALDH1A1MEN1
SCHEMBL5663190 0.77 HSD11B1 (0.48) HSD11B1DRD2DRD4POLBTDP1
SCHEMBL5662264 0.77 POLB (0.42) HSD11B1DRD2DRD4POLBTDP1
SCHEMBL3899816 0.75 RAB9A (0.58) HSD11B1POLBTDP1RAB9AKDM4E
SCHEMBL3812605 0.75 RAB9A (0.62) HSD11B1POLBTDP1RAB9AKDM4E
SCHEMBL5946875 0.74 HSD11B1 (0.54) HSD11B1DRD2DRD4POLBTDP1

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 5 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
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 HSD11B1 1590/4885DRD2 3072/4885DRD4 4190/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 HSD11B1 1033/4885DRD2 1583/4885DRD4 3092/4885

“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.