SCHEMBL6523616

SCHEMBL6523616

C(=C1CNCS1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HPGD P15428 3/20 0.38
CA2 P00918 1/20 0.36
NAT1 P18440 1/20 0.36
EPHX1 P07099 1/20 0.36
CYP1A2 P05177 3/20 0.35
LMNA P02545 3/20 0.33
F3 P13726 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL6523611 1.00 PIM1 (0.39) PIM1PIM3PIM2HPGDCA2
SCHEMBL21067939 0.70 CLK1 (0.50) PIM1MEN1KMT2ANPC1MAPT
SCHEMBL29941545 0.70 CLK1 (0.50) PIM1MEN1KMT2ANPC1MAPT
SCHEMBL5542422 0.68 CYP1A2 (0.35) PIM1PIM3PIM2HPGDCA2
SCHEMBL5542423 0.68 CYP1A2 (0.35) PIM1PIM3PIM2HPGDCA2
SCHEMBL23830806 0.67 HPGD (0.44) PIM1PIM3PIM2HPGDCA2
SCHEMBL24217846 0.66
Hydrochloric Acid SCHEMBL23830740 0.66 HPGD (0.42) PIM1PIM3PIM2HPGDCA2
SCHEMBL28239021 0.65 PIM1 (0.53) PIM1PIM3PIM2HPGDCA2
SCHEMBL21245889 0.65 CYP1A2 (0.42) PIM1PIM3PIM2HPGDCA2

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
CN-101361737-A Use of 4-tetrahydrothiazole dione derivates UNIV SICHUAN (CN) 2009-02-11 CN disclosed
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 PIM1 586/4885PIM3 358/4885PIM2 475/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP PIM1 1823/4885PIM3 1414/4885PIM2 2263/4885

“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.