SCHEMBL15540975

SCHEMBL15540975

c1ccc(Sc2cnc(-c3cccnc3)s2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CYP2A6 P11509 4/20 0.45
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CYP19A1 P11511 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AXL P30530 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40

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
SCHEMBL15539855 0.84 HPGDS (0.48) HPGDSRAB9ANPC1CYP2A6ALOX5
SCHEMBL15540240 0.81 HPGDS (0.48) HPGDSRAB9ANPC1CYP2A6ALOX5
SCHEMBL15540239 0.79 HPGDS (0.47) HPGDSRAB9ANPC1CYP2A6ALOX5
SCHEMBL8403765 0.77 HPGDS (0.50) HPGDSRAB9ANPC1CYP2A6ALOX5
SCHEMBL15540850 0.77 CYP2A6 (0.50) HPGDSRAB9ANPC1CYP2A6KDM4E
SCHEMBL15540942 0.77 RAB9A (0.46) HPGDSRAB9ANPC1CYP2A6ALOX5
SCHEMBL15540462 0.77 RAB9A (0.46) HPGDSRAB9ANPC1CYP2A6ALOX5
SCHEMBL15540036 0.76 CYP2A6 (0.56) HPGDSRAB9ANPC1CYP2A6KDM4E
SCHEMBL9100796 0.73 EHMT2 (0.45) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL211069 0.72 EHMT2 (0.44) RAB9ANPC1KDM4EALDH1A1L3MBTL1

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-20150166528-A1 Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests BASF SE (DE) 2015-06-18 US disclosed
US-20150166528-A1 Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests BASF SE (DE) 2015-06-18 US disclosed
US-20150166528-A1 Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests BASF SE (DE) 2015-06-18 US disclosed
EP-2863738-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2015-04-29 EP disclosed
WO-2013186089-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2013-12-19 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-20150166528-A1 Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests PTMS, PDXK, TH HPGDS 2618/4885RAB9A 2053/4885NPC1 3705/4885

“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.