SCHEMBL6696853

SCHEMBL6696853

Clc1ccccc1-c1nc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 9/20 0.66
ALPL P05186 4/20 0.52
NR1H2 P55055 2/20 0.52
NR1H3 Q13133 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
DCUN1D2 Q6PH85 1/20 0.47
LMNA P02545 2/20 0.45
ALPG P10696 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
APOBEC3G Q9HC16 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
SCHEMBL10944351 0.70 NR1H2 (0.77) DCUN1D1ALPLNR1H2NR1H3NPC1
SCHEMBL8725571 0.68 DCUN1D1 (0.62) DCUN1D1ALPLNR1H2NR1H3NPC1
SCHEMBL6979117 0.66 DCUN1D1 (0.57) DCUN1D1ALPLLMNAALPGALDH1A1
SCHEMBL6979120 0.65 DCUN1D1 (0.56) DCUN1D1ALPLLMNAALPG
SCHEMBL21456835 0.63 BTK (0.55) DCUN1D1ALPLNR1H2NR1H3NPC1
SCHEMBL646494 0.63 NR1H2 (0.76) DCUN1D1ALPLNR1H2NR1H3NPC1
SCHEMBL10335420 0.62 KIF11 (0.33) ALDH1A1
SCHEMBL5959950 0.62 SMN1; SMN2 (0.69) DCUN1D1ALPLNR1H2NR1H3NPC1
SCHEMBL8841399 0.61 DCUN1D1 (0.51) DCUN1D1ALPLNR1H2NR1H3NPC1
SCHEMBL9831523 0.61 NR1H2 (0.57) DCUN1D1ALPLNR1H2NR1H3NPC1

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-20040214864-A1 Novel compounds ASTRAZENECA AB (SE) 2004-10-28 US disclosed
EP-1109790-B1 1, 2, 4-TRIAZOLE-3-THIONE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-14 EP disclosed
EP-1274694-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
US-20020086862-A1 Novel compounds ASTRAZENECA AB 2002-07-04 US disclosed
WO-2001077087-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
EP-1109790-A1 1, 2, 4-TRIAZOLE-3-THIONE COMPOUNDS AstraZeneca AB (SE) 2001-06-27 EP disclosed
WO-2000012489-A1 1, 2, 4-TRIAZOLE-3-THIONE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO 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-20020086862-A1 Novel compounds ABCG2, CYP3A4, CYP4B1 DCUN1D1 2840/4885ALPL 4282/4885NR1H2 694/4885
US-20040214864-A1 Novel compounds ABCG2, CYP3A4, CYP4B1 DCUN1D1 2840/4885ALPL 4282/4885NR1H2 694/4885

“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.