SCHEMBL3609748

SCHEMBL3609748

Clc1ccccc1-c1nc(-c2ccc(-c3nnn[nH]3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
CYP19A1 P11511 2/20 0.46
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
EIF4E P06730 1/20 0.43
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 5/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 3/20 0.40
SMO Q99835 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
SREBF2 Q12772 1/20 0.40
TP53 P04637 2/20 0.39

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
SCHEMBL13545609 0.84 SREBF2 (0.57) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL3597116 0.84 SREBF2 (0.57) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL13545613 0.80 KDM4E (0.54) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL28522857 0.79 CYP19A1 (0.59) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL13545630 0.79 RAB9A (0.44) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL13545632 0.79 SMN1; SMN2 (0.64) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL13545612 0.77 RAB9A (0.49) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL13545611 0.77 KDM4E (0.55) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL13545618 0.76 RAB9A (0.64) KDM4ERAB9ANPC1CYP19A1MAPT
SCHEMBL13545629 0.76 CYP19A1 (0.54) RAB9ASMN1; SMN2NPC1CYP19A1KMT2A

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
CN-101663298-A Thiazole derivatives as modulators of g protein-coupled receptors IRM LLC 2010-03-03 CN disclosed
US-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-28 US disclosed
US-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-28 US disclosed
US-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-28 US disclosed
EP-2121675-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008103500-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 WO disclosed
WO-2008103500-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 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 (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-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS GPR119, GPR65, GPR180 KDM4E 4170/4885RAB9A 2377/4885SMN1; SMN2 4681/4885

“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.