SCHEMBL1457504

SCHEMBL1457504

C#CCCCNc1c(N)c(Cl)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
RAD52 P43351 3/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SLC2A1 P11166 1/20 0.43
APOBEC3A P31941 1/20 0.43
KMT2A Q03164 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CACNA2D1 P54289 1/20 0.40
BCHE P06276 6/20 0.40
ACHE P22303 6/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL1456601 0.84 ACHE (0.53) POLBRAD52RAB9ANPC1SLC2A1
SCHEMBL202694 0.83 POLB (0.68) POLBRAD52RAB9ANPC1SLC2A1
SCHEMBL6719555 0.83 KDM4E (0.57) POLBRAD52RAB9ANPC1SLC2A1
SCHEMBL22181050 0.83 ACHE (0.55) POLBRAD52RAB9ANPC1SLC2A1
SCHEMBL1457048 0.81 CHRM2 (0.44) POLBRAD52RAB9ANPC1SLC2A1
SCHEMBL12744366 0.80 APP (0.55) POLBRAD52RAB9ANPC1SLC2A1
SCHEMBL17675656 0.79 ACHE (0.52) POLBRAD52RAB9AALDH1A1KDM4E
SCHEMBL21632108 0.75 BCHE (0.47) POLBRAD52RAB9AALDH1A1SMN1; SMN2
SCHEMBL13968056 0.75 KMT2A (0.66) POLBRAD52KMT2AALDH1A1SMN1; SMN2
SCHEMBL1457334 0.73 TOP2A (0.45) POLBRAD52RAB9ANPC1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
WO-2006065280-A2 ISOXAZOLE, DIHYDROISOXAZOLE, AND OXADIAZOLE SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 POLB 1578/4885RAD52 3279/4885RAB9A 2832/4885

“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.