SCHEMBL5439893

SCHEMBL5439893

O=C(C1=CC=C(Cl)C[CH]1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD11B1 P28845 1/20 0.42
HSP90AA1 P07900 2/20 0.41
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 2/20 0.38
SPR P35270 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM5 P41594 1/20 0.38
HTT P42858 1/20 0.37
CHRNA7 P36544 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
SCHEMBL5451245 0.74 MEN1 (0.42) HPGDNPC1ALDH1A1POLBMEN1
SCHEMBL2558780 0.70 HPGD (0.46) HPGDNPC1GLAALDH1A1HSD11B1
SCHEMBL5643525 0.70 HSD11B1 (0.40) HPGDNPC1ALDH1A1HSD11B1
SCHEMBL8541103 0.68 HPGD (0.42) HPGDNPC1GLAALDH1A1POLB
SCHEMBL21650204 0.65 HPGD (0.58) HPGDNPC1GLAALDH1A1HSD11B1
SCHEMBL29944043 0.63 HSD11B1 (0.66) HPGDNPC1GLAALDH1A1HSD11B1
SCHEMBL3455787 0.63 HPGD (0.80) HPGDNPC1GLAALDH1A1POLB
SCHEMBL11112400 0.63 HPGD (0.80) HPGDNPC1GLAALDH1A1POLB
SCHEMBL3456204 0.63 HSD11B1 (0.66) HPGDNPC1GLAALDH1A1HSD11B1
SCHEMBL7132525 0.62 HPGD (1.00) HPGDALDH1A1TSHRUSP2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 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 HPGD 1693/4885NPC1 1643/4885GLA 4755/4885

“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.